Crystallography Open Database

Result: there are 1231 entries in the selection

Switch to the old layout of the page

Download all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)

Searching journal of publication like 'Physical chemistry chemical physics : PCCP'

Blue left arrow Blue left arrow First | Blue left arrow Previous 500 | of 3 | Next 500 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

COD ID Blue up arrow Links Formula Up arrow Space group Up arrow Cell parameters Cell volume Up arrow Bibliography
7224091 CIFC8 H14 Mn O12P -15.2823; 7.3398; 9.3651
109.765; 105.152; 92.454		326.37Ruggiero, Michael T.; Korter, Timothy M.
The crucial role of water in shaping low-barrier hydrogen bonds.
Physical chemistry chemical physics : PCCP, 2016, 18, 5521-5528
7224132 CIFC36 H50 O6 S2P 1 21/a 114.1458; 7.2193; 17.4712
90; 98.5591; 90		1764.34Bowen, Alice M.; Jones, Michael W.; Lovett, Janet E.; Gaule, Thembanikosi G.; McPherson, Michael J.; Dilworth, Jonathan R.; Timmel, Christiane R.; Harmer, Jeffrey R.
Exploiting orientation-selective DEER: determining molecular structure in systems containing Cu(ii) centres.
Physical chemistry chemical physics : PCCP, 2016, 18, 5981-5994
7224138 CIFAl Li3 O5 SiP n a 215.331; 15.551; 4.782
90; 90; 90		396.4Chen, Xinglong; Zhang, Fangfang; Liu, Lili; Lei, Bing-Hua; Dong, Xiaoyu; Yang, Zhihua; Li, Hongyi; Pan, Shilie
Li3AlSiO5: the first aluminosilicate as a potential deep-ultraviolet nonlinear optical crystal with the quaternary diamond-like structure.
Physical chemistry chemical physics : PCCP, 2016, 18, 4362-4369
7224310 CIFC8 H14 Fe2 N O12R -3 c :H14.2909; 14.2909; 41.5072
90; 90; 120		7341.3Sieradzki, A.; Pawlus, S.; Tripathy, S. N.; Gągor, A; Ciupa, A.; Mączka, M; Paluch, M.
Dielectric relaxation behavior in antiferroelectric metal organic framework [(CH3)2NH2][Fe(III)Fe(II)(HCOO)6] single crystals.
Physical chemistry chemical physics : PCCP, 2016, 18, 8462-8467
7224311 CIFC8 H14 Fe2 N O12P -3 1 c8.2603; 8.2603; 13.8466
90; 90; 120		818.21Sieradzki, A.; Pawlus, S.; Tripathy, S. N.; Gągor, A; Ciupa, A.; Mączka, M; Paluch, M.
Dielectric relaxation behavior in antiferroelectric metal organic framework [(CH3)2NH2][Fe(III)Fe(II)(HCOO)6] single crystals.
Physical chemistry chemical physics : PCCP, 2016, 18, 8462-8467
7224312 CIFC8 H14 Fe2 N O12R -3 c :H14.2916; 14.2916; 41.4795
90; 90; 120		7337.1Sieradzki, A.; Pawlus, S.; Tripathy, S. N.; Gągor, A; Ciupa, A.; Mączka, M; Paluch, M.
Dielectric relaxation behavior in antiferroelectric metal organic framework [(CH3)2NH2][Fe(III)Fe(II)(HCOO)6] single crystals.
Physical chemistry chemical physics : PCCP, 2016, 18, 8462-8467
7224313 CIFC8 H14 Fe2 N O12R -3 c :H14.2991; 14.2991; 41.5361
90; 90; 120		7354.8Sieradzki, A.; Pawlus, S.; Tripathy, S. N.; Gągor, A; Ciupa, A.; Mączka, M; Paluch, M.
Dielectric relaxation behavior in antiferroelectric metal organic framework [(CH3)2NH2][Fe(III)Fe(II)(HCOO)6] single crystals.
Physical chemistry chemical physics : PCCP, 2016, 18, 8462-8467
7224314 CIFC8 H14 Fe2 N O12R -3 c :H14.2896; 14.2896; 41.483
90; 90; 120		7335.7Sieradzki, A.; Pawlus, S.; Tripathy, S. N.; Gągor, A; Ciupa, A.; Mączka, M; Paluch, M.
Dielectric relaxation behavior in antiferroelectric metal organic framework [(CH3)2NH2][Fe(III)Fe(II)(HCOO)6] single crystals.
Physical chemistry chemical physics : PCCP, 2016, 18, 8462-8467
7224460 CIFC107.5 H109 Cu F12 N8 O10.5 P2P -120.1608; 22.3481; 25.738
71.678; 67.478; 86.691		10142.9Meyer, Andreas; Abdullin, Dinar; Schnakenburg, Gregor; Schiemann, Olav
Single and double nitroxide labeled bis(terpyridine)-copper(ii): influence of orientation selectivity and multispin effects on PELDOR and RIDME.
Physical chemistry chemical physics : PCCP, 2016, 18, 9262-9271
7224567 CIFC12 H20 F3 N5 O4 SP -16.477; 10.584; 12.778
85.883; 86.565; 75.6		845.45Solel, Ephrath; Singh, Mandeep; Reany, Ofer; Keinan, Ehud
Enhanced anion binding by heteroatom replacement in bambusurils.
Physical chemistry chemical physics : PCCP, 2016, 18, 13180-13185
7224568 CIFC10 H18 F3 N5 O4 SP 1 21/n 16.563; 14.3405; 15.7391
90; 94.225; 90		1477.29Solel, Ephrath; Singh, Mandeep; Reany, Ofer; Keinan, Ehud
Enhanced anion binding by heteroatom replacement in bambusurils.
Physical chemistry chemical physics : PCCP, 2016, 18, 13180-13185
7224569 CIFC20 H29 F6 O P RuP -110.389; 10.393; 11.05
84.703; 67.159; 82.242		1088.4Higashi, Tomomi; Ueda, Takahiro; Mochida, Tomoyuki
Effects of substituent branching and chirality on the physical properties of ionic liquids based on cationic ruthenium sandwich complexes.
Physical chemistry chemical physics : PCCP, 2016, 18, 10041-10048
7224570 CIFC20 H29 F2 N O5 Ru S2P -17.928; 9.542; 16.403
98.073; 101.571; 103.61		1158.3Higashi, Tomomi; Ueda, Takahiro; Mochida, Tomoyuki
Effects of substituent branching and chirality on the physical properties of ionic liquids based on cationic ruthenium sandwich complexes.
Physical chemistry chemical physics : PCCP, 2016, 18, 10041-10048
7224571 CIFC20 H29 F6 O P RuP -17.24; 18.137; 18.786
114.703; 94.018; 97.896		2197.4Higashi, Tomomi; Ueda, Takahiro; Mochida, Tomoyuki
Effects of substituent branching and chirality on the physical properties of ionic liquids based on cationic ruthenium sandwich complexes.
Physical chemistry chemical physics : PCCP, 2016, 18, 10041-10048
7224637 CIFC10 H15 FF m -3 m9.5522; 9.5522; 9.5522
90; 90; 90		871.59Ben Hassine, B.; Negrier, Ph; Romanini, M.; Barrio, M.; Macovez, R.; Kallel, A.; Mondieig, D.; Tamarit, J. Ll
Structure and reorientational dynamics of 1-F-adamantane.
Physical chemistry chemical physics : PCCP, 2016, 18, 10924-10930
7224638 CIFC10 H15 FP -4 21 c6.7776; 6.7776; 8.8235
90; 90; 90		405.32Ben Hassine, B.; Negrier, Ph; Romanini, M.; Barrio, M.; Macovez, R.; Kallel, A.; Mondieig, D.; Tamarit, J. Ll
Structure and reorientational dynamics of 1-F-adamantane.
Physical chemistry chemical physics : PCCP, 2016, 18, 10924-10930
7224706 CIFC8 H20 N6 S2C 1 2/c 119.106; 15.504; 18.03
90; 95.648; 90		5315Ji, Chengmin; Li, Shenhui; Deng, Feng; Liu, Sijie; Asghar, Muhammad Adnan; Sun, Zhihua; Hong, Maochun; Luo, Junhua
Bistable N-HN hydrogen bonds for reversibly modulating the dynamic motion in an organic co-crystal.
Physical chemistry chemical physics : PCCP, 2016, 18, 10868-10872
7224707 CIFC8 H20 N6 S2C 1 2/c 19.685; 7.867; 18.241
90; 95.266; 90		1384Ji, Chengmin; Li, Shenhui; Deng, Feng; Liu, Sijie; Asghar, Muhammad Adnan; Sun, Zhihua; Hong, Maochun; Luo, Junhua
Bistable N-HN hydrogen bonds for reversibly modulating the dynamic motion in an organic co-crystal.
Physical chemistry chemical physics : PCCP, 2016, 18, 10868-10872
7224778 CIFC9 H9 F9 Li O9 PP -313.0094; 13.0094; 5.5129
90; 90; 120		808.03Malliakas, Christos D.; Leung, Kevin; Pupek, Krzysztof Z.; Shkrob, Ilya A.; Abraham, Daniel P.
Spontaneous aggregation of lithium ion coordination polymers in fluorinated electrolytes for high-voltage batteries.
Physical chemistry chemical physics : PCCP, 2016, 18, 10846-10849
7224879 CIFC6 H12 O6P 21 21 215.577; 7.5481; 18.06
90; 90; 90		760.2Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej
Giant strain geared to transformable H-bonded network in compressed β-d-mannose.
Physical chemistry chemical physics : PCCP, 2016, 18, 11474-11479
7224880 CIFC6 H12 O6P 21 21 215.3889; 7.4568; 17.8288
90; 90; 90		716.43Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej
Giant strain geared to transformable H-bonded network in compressed β-d-mannose.
Physical chemistry chemical physics : PCCP, 2016, 18, 11474-11479
7224881 CIFC6 H12 O6P 21 21 215.375; 7.436; 17.849
90; 90; 90		713Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej
Giant strain geared to transformable H-bonded network in compressed β-d-mannose.
Physical chemistry chemical physics : PCCP, 2016, 18, 11474-11479
7224882 CIFC6 H12 O6P 21 21 214.609; 8.438; 17.4
90; 90; 90		677Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej
Giant strain geared to transformable H-bonded network in compressed β-d-mannose.
Physical chemistry chemical physics : PCCP, 2016, 18, 11474-11479
7224883 CIFC6 H12 O6P 21 21 214.62; 8.422; 17.29
90; 90; 90		672.7Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej
Giant strain geared to transformable H-bonded network in compressed β-d-mannose.
Physical chemistry chemical physics : PCCP, 2016, 18, 11474-11479
7224884 CIFC6 H12 O6P 21 21 214.58; 8.401; 17.2
90; 90; 90		662Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej
Giant strain geared to transformable H-bonded network in compressed β-d-mannose.
Physical chemistry chemical physics : PCCP, 2016, 18, 11474-11479
7224885 CIFC6 H12 O6P 21 21 214.5744; 8.386; 17.212
90; 90; 90		660.3Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej
Giant strain geared to transformable H-bonded network in compressed β-d-mannose.
Physical chemistry chemical physics : PCCP, 2016, 18, 11474-11479
7224886 CIFC6 H12 O6P 21 21 215.6684; 7.572; 18.1425
90; 90; 90		778.7Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej
Giant strain geared to transformable H-bonded network in compressed β-d-mannose.
Physical chemistry chemical physics : PCCP, 2016, 18, 11474-11479
7224887 CIFC6 H12 O6P 21 21 215.6537; 7.5619; 18.1266
90; 90; 90		774.96Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej
Giant strain geared to transformable H-bonded network in compressed β-d-mannose.
Physical chemistry chemical physics : PCCP, 2016, 18, 11474-11479
7224888 CIFC6 H12 O6P 21 21 215.64474; 7.55135; 18.1054
90; 90; 90		771.75Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej
Giant strain geared to transformable H-bonded network in compressed β-d-mannose.
Physical chemistry chemical physics : PCCP, 2016, 18, 11474-11479
7224889 CIFC6 H12 O6P 21 21 215.62999; 7.5401; 18.0919
90; 90; 90		768.01Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej
Giant strain geared to transformable H-bonded network in compressed β-d-mannose.
Physical chemistry chemical physics : PCCP, 2016, 18, 11474-11479
7225011 CIFC42 H54 Cl6 N10 PtP 1 21/c 19.3446; 9.4052; 26.2178
90; 92.274; 90		2302.4Serebryanskaya, Tatiyana V.; Novikov, Alexander S.; Gushchin, Pavel V.; Haukka, Matti; Asfin, Ruslan E.; Tolstoy, Peter M.; Kukushkin, Vadim Yu
Identification and H(D)-bond energies of C-H(D)Cl interactions in chloride-haloalkane clusters: a combined X-ray crystallographic, spectroscopic, and theoretical study.
Physical chemistry chemical physics : PCCP, 2016, 18, 14104-14112
7225012 CIFC40 H50 Cl6 N10 PtP -112.9443; 13.0808; 15.1903
109.653; 113.249; 92.7		2176.92Serebryanskaya, Tatiyana V.; Novikov, Alexander S.; Gushchin, Pavel V.; Haukka, Matti; Asfin, Ruslan E.; Tolstoy, Peter M.; Kukushkin, Vadim Yu
Identification and H(D)-bond energies of C-H(D)Cl interactions in chloride-haloalkane clusters: a combined X-ray crystallographic, spectroscopic, and theoretical study.
Physical chemistry chemical physics : PCCP, 2016, 18, 14104-14112
7225013 CIFC42 H50 Br12 Cl2 N10 PtP b c a14.2649; 18.1921; 23.1012
90; 90; 90		5995Serebryanskaya, Tatiyana V.; Novikov, Alexander S.; Gushchin, Pavel V.; Haukka, Matti; Asfin, Ruslan E.; Tolstoy, Peter M.; Kukushkin, Vadim Yu
Identification and H(D)-bond energies of C-H(D)Cl interactions in chloride-haloalkane clusters: a combined X-ray crystallographic, spectroscopic, and theoretical study.
Physical chemistry chemical physics : PCCP, 2016, 18, 14104-14112
7225014 CIFC42 H46 Cl14 D2 N10 PtP b c a13.1946; 17.8886; 23.6588
90; 90; 90		5584.26Serebryanskaya, Tatiyana V.; Novikov, Alexander S.; Gushchin, Pavel V.; Haukka, Matti; Asfin, Ruslan E.; Tolstoy, Peter M.; Kukushkin, Vadim Yu
Identification and H(D)-bond energies of C-H(D)Cl interactions in chloride-haloalkane clusters: a combined X-ray crystallographic, spectroscopic, and theoretical study.
Physical chemistry chemical physics : PCCP, 2016, 18, 14104-14112
7225015 CIFC48 H65 Co N3 O4P 1 21/c 117.028; 16.746; 17.575
90; 113.781; 90		4586Ghosh, Pritam; Banerjee, Priyabrata
How paramagnetic and diamagnetic LMOCs detect picric acid from surface water and the intracellular environment: a combined experimental and DFT-D3 study.
Physical chemistry chemical physics : PCCP, 2016, 18, 22805-22815
7225016 CIFC46 H24 F2 N4 S4P -17.9146; 10.34; 11.03
89.02; 80.45; 82.36		882.2Qin, Yunke; Cheng, Changli; Geng, Hua; Wang, Chao; Hu, Wenping; Xu, Wei; Shuai, Zhigang; Zhu, Daoben
Efficient ambipolar transport properties in alternate stacking donor-acceptor complexes: from experiment to theory.
Physical chemistry chemical physics : PCCP, 2016, 18, 14094-14103
7225017 CIFC46 H24 N6 S5P -17.7712; 11.266; 11.337
74.094; 78.856; 80.05		929Qin, Yunke; Cheng, Changli; Geng, Hua; Wang, Chao; Hu, Wenping; Xu, Wei; Shuai, Zhigang; Zhu, Daoben
Efficient ambipolar transport properties in alternate stacking donor-acceptor complexes: from experiment to theory.
Physical chemistry chemical physics : PCCP, 2016, 18, 14094-14103
7225018 CIFC46 H22 F4 N4 S4P -17.9463; 10.099; 11.251
88.15; 81.09; 82.6		884.5Qin, Yunke; Cheng, Changli; Geng, Hua; Wang, Chao; Hu, Wenping; Xu, Wei; Shuai, Zhigang; Zhu, Daoben
Efficient ambipolar transport properties in alternate stacking donor-acceptor complexes: from experiment to theory.
Physical chemistry chemical physics : PCCP, 2016, 18, 14094-14103
7225019 CIFC6 H8 Mg N2 O6P 1 21/n 112.1246; 12.2087; 12.4991
90; 91.394; 90		1849.64Mączka, Mirosław; Marinho Costa, Nathalia Leal; Gągor, Anna; Paraguassu, Waldeci; Sieradzki, Adam; Hanuza, Jerzy
Structural, thermal, dielectric and phonon properties of perovskite-like imidazolium magnesium formate.
Physical chemistry chemical physics : PCCP, 2016, 18, 13993-14000
7225169 CIFC45 H45 OP -19.6555; 10.5975; 18.1996
86.088; 85.13; 68.108		1720.38Sampath, Srinivasan; Boopathi, A. A.; Mandal, A. B.
"Bottom-up" self-assembly and "cold crystallization" of butterfly shaped tetrabenzofluorene molecules.
Physical chemistry chemical physics : PCCP, 2016, 18, 21251-21258
7225209 CIFC10 H12 F18 N PP n m a18.972; 11.8654; 7.9166
90; 90; 90		1782.1Han, Xue; Ke, Jie; Suleiman, Norhidayah; Levason, William; Pugh, David; Zhang, Wenjian; Reid, Gillian; Licence, Peter; George, Michael W.
Phase behaviour and conductivity of supporting electrolytes in supercritical difluoromethane and 1,1-difluoroethane.
Physical chemistry chemical physics : PCCP, 2016, 18, 14359-14369
7225210 CIFC22 H36 F18 N PP b c a17.591; 17.971; 18.534
90; 90; 90		5859.1Han, Xue; Ke, Jie; Suleiman, Norhidayah; Levason, William; Pugh, David; Zhang, Wenjian; Reid, Gillian; Licence, Peter; George, Michael W.
Phase behaviour and conductivity of supporting electrolytes in supercritical difluoromethane and 1,1-difluoroethane.
Physical chemistry chemical physics : PCCP, 2016, 18, 14359-14369
7225211 CIFC18 H36 F6 N2 O4 S2P 1 21 113.312; 28.997; 13.523
90; 94.059; 90		5207Han, Xue; Ke, Jie; Suleiman, Norhidayah; Levason, William; Pugh, David; Zhang, Wenjian; Reid, Gillian; Licence, Peter; George, Michael W.
Phase behaviour and conductivity of supporting electrolytes in supercritical difluoromethane and 1,1-difluoroethane.
Physical chemistry chemical physics : PCCP, 2016, 18, 14359-14369
7225252 CIFC4 H8 O2P -15.9523; 6.7864; 12.7209
87.987; 89.585; 84.399		511.08McFarlane, Andrew R.; Geller, Hannah; Silverwood, Ian P.; Cooper, Richard I.; Watkin, David J.; Parker, Stewart F.; Winfield, John M.; Lennon, David
The application of inelastic neutron scattering to investigate the interaction of methyl propanoate with silica.
Physical chemistry chemical physics : PCCP, 2016, 18, 17210-17216
7225267 CIFC34 H32 N2 O4 S2C 1 2/c 124.442; 15.052; 8.5086
90; 108.057; 90		2976.1Payne, Abby-Jo; Hendsbee, Arthur D.; McAfee, Seth M.; Paul, Devproshad K.; Karan, Kunal; Welch, Gregory C.
Synthesis and structure-property relationships of phthalimide and naphthalimide based organic π-conjugated small molecules.
Physical chemistry chemical physics : PCCP, 2016, 18, 14709-14719
7225268 CIFC34 H32 N2 O4 S2P 1 21/c 15.271; 9.681; 28.26
90; 94.742; 90		1437Payne, Abby-Jo; Hendsbee, Arthur D.; McAfee, Seth M.; Paul, Devproshad K.; Karan, Kunal; Welch, Gregory C.
Synthesis and structure-property relationships of phthalimide and naphthalimide based organic π-conjugated small molecules.
Physical chemistry chemical physics : PCCP, 2016, 18, 14709-14719
7225269 CIFC48 H48 N2 O4 S2P -18.87; 9.773; 13.13
94.98; 93.06; 116.609		1008Payne, Abby-Jo; Hendsbee, Arthur D.; McAfee, Seth M.; Paul, Devproshad K.; Karan, Kunal; Welch, Gregory C.
Synthesis and structure-property relationships of phthalimide and naphthalimide based organic π-conjugated small molecules.
Physical chemistry chemical physics : PCCP, 2016, 18, 14709-14719
7225270 CIFC34 H32 N2 O4 S2P -17.8929; 13.988; 14.098
100.29; 99.834; 102.275		1460.7Payne, Abby-Jo; Hendsbee, Arthur D.; McAfee, Seth M.; Paul, Devproshad K.; Karan, Kunal; Welch, Gregory C.
Synthesis and structure-property relationships of phthalimide and naphthalimide based organic π-conjugated small molecules.
Physical chemistry chemical physics : PCCP, 2016, 18, 14709-14719
7225336 CIFC86 H82 B10 N2C 1 2/c 120.1102; 26.5248; 21.3634
90; 93.228; 90		11377.6Wang, Zhaojin; Jiang, Peng; Wang, Tianyu; Moxey, Graeme J.; Cifuentes, Marie P.; Zhang, Chi; Humphrey, Mark G.
Blue-shifted emission and enhanced quantum efficiency viaπ-bridge elongation in carbazole-carborane dyads.
Physical chemistry chemical physics : PCCP, 2016, 18, 15719-15726
7225555 CIFC33 H27 B F2 N2P -18.279; 8.3562; 19.2301
100.217; 98.258; 96.502		1282.48Obondi, Christopher O.; Lim, Gary N.; Karr, Paul A.; Nesterov, Vladimir N.; D'Souza, Francis
Photoinduced charge separation in wide-band capturing, multi-modular bis(donor styryl)BODIPY-fullerene systems.
Physical chemistry chemical physics : PCCP, 2016, 18, 18187-18200
7225576 CIFLi O4 P PbP n a 218.027; 18.689; 4.965
90; 90; 90		744.8Han, Guopeng; Liu, Qiong; Wang, Ying; Su, Xin; Yang, Zhihua; Pan, Shilie
Experimental and theoretical studies on the linear and nonlinear optical properties of lead phosphate crystals LiPbPO4.
Physical chemistry chemical physics : PCCP, 2016, 18, 19123-19129
7225645 CIFC20 H21 Cd N4 O7.5P b c n15.8817; 17.5053; 17.8702
90; 90; 90		4968.2Gao, Song; Fan, Rui Qing; Wang, Xin Ming; Wei, Li Guo; Song, Yang; Du, Xi; Xing, Kai; Wang, Ping; Yang, Yu Lin
Thermally-induced single-crystal-to-single-crystal transformations from a 2D two-fold interpenetrating square lattice layer to a 3D four-fold interpenetrating diamond framework and its application in dye-sensitized solar cells.
Physical chemistry chemical physics : PCCP, 2016, 18, 19001-19010
7225646 CIFC20 H14 Cd N4 O4P n n a13.846; 16.556; 8.239
90; 90; 90		1888.7Gao, Song; Fan, Rui Qing; Wang, Xin Ming; Wei, Li Guo; Song, Yang; Du, Xi; Xing, Kai; Wang, Ping; Yang, Yu Lin
Thermally-induced single-crystal-to-single-crystal transformations from a 2D two-fold interpenetrating square lattice layer to a 3D four-fold interpenetrating diamond framework and its application in dye-sensitized solar cells.
Physical chemistry chemical physics : PCCP, 2016, 18, 19001-19010
7225656 CIFC9 H16 N4 OP 1 21/n 17.3864; 12.0203; 12.5938
90; 103.725; 90		1086.23Zanatta, Marcileia; Girard, Anne-Lise; Marin, Graciane; Ebeling, Gunter; Dos Santos, Francisco P.; Valsecchi, Chiara; Stassen, Hubert; Livotto, Paolo R.; Lewis, William; Dupont, Jairton
Confined water in imidazolium based ionic liquids: a supramolecular guest@host complex case.
Physical chemistry chemical physics : PCCP, 2016, 18, 18297-18304
7225657 CIFC14 H11 F6 N O2P 1 21/n 18.84; 15.0313; 11.9237
90; 111.183; 90		1477.33Mróz, M M; Benedini, S.; Forni, A.; Botta, C.; Pasini, D.; Cariati, E.; Virgili, T.
Long-living optical gain induced by solvent viscosity in a push-pull molecule.
Physical chemistry chemical physics : PCCP, 2016, 18, 18289-18296
7225758 CIFC120 H120 Au8 N4 O8 P8 S2P 1 21/n 114.4715; 20.1344; 20.747
90; 98.1469; 90		5984.1Iwasaki, Mitsuhiro; Kobayashi, Naoki; Shichibu, Yukatsu; Konishi, Katsuaki
Facile modulation of optical properties of octagold clusters through the control of ligand-mediated interactions.
Physical chemistry chemical physics : PCCP, 2016, 18, 19433-19439
7225759 CIFC121 H122 Au8 B2 Cl4 F8 N2 O P8 S2C 1 2/c 133.432; 17.913; 24.121
90; 102.277; 90		14115Iwasaki, Mitsuhiro; Kobayashi, Naoki; Shichibu, Yukatsu; Konishi, Katsuaki
Facile modulation of optical properties of octagold clusters through the control of ligand-mediated interactions.
Physical chemistry chemical physics : PCCP, 2016, 18, 19433-19439
7225828 CIFC72 H78 Al2 Dy2 N6 O18C 1 2/c 127.6565; 10.6992; 24.5174
90; 94.143; 90		7235.8Peng, Yan; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.
Multiple superhyperfine fields in a {DyFe2Dy} coordination cluster revealed using bulk susceptibility and (57)Fe Mössbauer studies.
Physical chemistry chemical physics : PCCP, 2016, 18, 21469-21480
7225829 CIFC72 H78 Dy2 Fe2 N6 O18C 1 2/c 128.4714; 10.5419; 24.4309
90; 94.949; 90		7305.4Peng, Yan; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.
Multiple superhyperfine fields in a {DyFe2Dy} coordination cluster revealed using bulk susceptibility and (57)Fe Mössbauer studies.
Physical chemistry chemical physics : PCCP, 2016, 18, 21469-21480
7225830 CIFC25 H17 N5 Ni O3P 1 21/c 111.5545; 19.8056; 9.1539
90; 94.097; 90		2089.46Majee, Karunamay; Patel, Jully; Rai, Surabhi; Das, Babulal; Panda, Binata; Padhi, Sumanta Kumar
Proton reduction by a nickel complex with an internal quinoline moiety for proton relay.
Physical chemistry chemical physics : PCCP, 2016, 18, 21640-21650
7225851 CIFC12 H19 Cl N2 O2 Sn2P 1 21/m 17.5613; 18.8087; 11.8932
90; 104.691; 90		1636.13Arjmand, F.; Sharma, S.; Usman, M.; Leu, B. M.; Hu, M. Y.; Toupet, L.; Gosztola, D.; Tabassum, S.
Vibrational dynamics (IR, Raman, NRVS) and a DFT study of a new antitumor tetranuclearstannoxane cluster, Sn(iv)-oxo-{di-o-vanillin} dimethyl dichloride.
Physical chemistry chemical physics : PCCP, 2016, 18, 17805-17809
7225869 CIFC8 H19 Mg N O10P n a 2117.8204; 9.9753; 15.6487
90; 90; 90		2781.8Eisenberg, David; Stroek, Wowa; Geels, Norbert J.; Tanase, Stefania; Ferbinteanu, Marilena; Teat, Simon J.; Mettraux, Pierre; Yan, Ning; Rothenberg, Gadi
A rational synthesis of hierarchically porous, N-doped carbon from Mg-based MOFs: understanding the link between nitrogen content and oxygen reduction electrocatalysis.
Physical chemistry chemical physics : PCCP, 2016, 18, 20778-20783
7225870 CIFC6 H12 K Mg N O9P 1 21/n 17.1443; 10.058; 16.3322
90; 90.905; 90		1173.44Eisenberg, David; Stroek, Wowa; Geels, Norbert J.; Tanase, Stefania; Ferbinteanu, Marilena; Teat, Simon J.; Mettraux, Pierre; Yan, Ning; Rothenberg, Gadi
A rational synthesis of hierarchically porous, N-doped carbon from Mg-based MOFs: understanding the link between nitrogen content and oxygen reduction electrocatalysis.
Physical chemistry chemical physics : PCCP, 2016, 18, 20778-20783
7226109 CIFC12 H17 N3 O5P 1 21/c 17.5357; 17.1542; 10.8286
90; 102.802; 90		1365Panja, Sumit Kumar; Dwivedi, Nidhi; Saha, Satyen
Manipulating the proton transfer process in molecular complexes: synthesis and spectroscopic studies.
Physical chemistry chemical physics : PCCP, 2016, 18, 21600-21609
7226110 CIFC14 H8 N2P 1 21/n 13.8269; 15.7916; 17.2303
90; 91.29; 90		1041.01Panja, Sumit Kumar; Dwivedi, Nidhi; Saha, Satyen
Manipulating the proton transfer process in molecular complexes: synthesis and spectroscopic studies.
Physical chemistry chemical physics : PCCP, 2016, 18, 21600-21609
7226111 CIFC17 H18 N2 O5P 1 21/n 19.271; 8.507; 21.337
90; 93.69; 90		1679.3Panja, Sumit Kumar; Dwivedi, Nidhi; Saha, Satyen
Manipulating the proton transfer process in molecular complexes: synthesis and spectroscopic studies.
Physical chemistry chemical physics : PCCP, 2016, 18, 21600-21609
7226174 CIFC13 H14 N2 O3P n a 2113.6811; 11.8839; 7.3549
90; 90; 90		1195.8Chatterjee, Tanmay; Mandal, Mrinal; Mandal, Prasun K.
Solvent H-bond accepting ability induced conformational change and its influence towards fluorescence enhancement and dual fluorescence of hydroxy meta-GFP chromophore analogue.
Physical chemistry chemical physics : PCCP, 2016, 18, 24332-24342
7226175 CIFC14 H16 N2 O3P 1 21/n 18.3642; 7.8279; 20.8234
90; 90.819; 90		1363.25Chatterjee, Tanmay; Mandal, Mrinal; Mandal, Prasun K.
Solvent H-bond accepting ability induced conformational change and its influence towards fluorescence enhancement and dual fluorescence of hydroxy meta-GFP chromophore analogue.
Physical chemistry chemical physics : PCCP, 2016, 18, 24332-24342
7226363 CIFC36 H50 Cu4 I4 N S3P -112.773; 13.042; 13.81
76.503; 78.2; 83.064		2183.3Bonnot, Antoine; Karsenti, Paul-Ludovic; Juvenal, Frank; Golz, Christopher; Strohmann, Carsten; Fortin, Daniel; Knorr, Michael; Harvey, Pierre D.
The 3D [(Cu2Br2){μ-EtS(CH2)4SEt}]n material: a rare example of a coordination polymer exhibiting triplet-triplet annihilation.
Physical chemistry chemical physics : PCCP, 2016, 18, 24845-24849
7226364 CIFC59 H89 Cu4 I4 N S4P 1 21/n 111.9745; 20.6966; 26.9669
90; 98.373; 90		6612Bonnot, Antoine; Karsenti, Paul-Ludovic; Juvenal, Frank; Golz, Christopher; Strohmann, Carsten; Fortin, Daniel; Knorr, Michael; Harvey, Pierre D.
The 3D [(Cu2Br2){μ-EtS(CH2)4SEt}]n material: a rare example of a coordination polymer exhibiting triplet-triplet annihilation.
Physical chemistry chemical physics : PCCP, 2016, 18, 24845-24849
7226478 CIFC Cl2 N O PP 1 21/c 110.8078; 6.1587; 7.7148
90; 104.196; 90		497.83Li, Dingqing; Schwabedissen, Jan; Stammler, Hans-Georg; Mitzel, Norbert W.; Willner, Helge; Zeng, Xiaoqing
Dichlorophosphanyl isocyanate - spectroscopy, conformation and molecular structure in the gas phase and the solid state.
Physical chemistry chemical physics : PCCP, 2016, 18, 26245-26253
7226487 CIFC22 H17 N O4P -17.3977; 11.6656; 20.3981
76.247; 83.564; 88.301		1699.07Lifshits, Liubov M.; Budkina, Darya S.; Singh, Varun; Matveev, Sergey M.; Tarnovsky, Alexander N.; Klosterman, Jeremy K.
Solution-state photophysics of N-carbazolyl benzoate esters: dual emission and order of states in twisted push-pull chromophores.
Physical chemistry chemical physics : PCCP, 2016, 18, 27671-27683
7226488 CIFC21 H17 N O2P 1 21/c 120.7631; 3.953; 18.9724
90; 99.996; 90		1533.55Lifshits, Liubov M.; Budkina, Darya S.; Singh, Varun; Matveev, Sergey M.; Tarnovsky, Alexander N.; Klosterman, Jeremy K.
Solution-state photophysics of N-carbazolyl benzoate esters: dual emission and order of states in twisted push-pull chromophores.
Physical chemistry chemical physics : PCCP, 2016, 18, 27671-27683
7226542 CIFC34 H24 Eu F12 N O8 S4P -110.0179; 12.2989; 17.6698
100.592; 95.431; 102.457		2069.1Yi, Sijing; Yao, Meihuan; Wang, Jiao; Chen, Xiao
Highly luminescent and stable lyotropic liquid crystals based on a europium β-diketonate complex bridged by an ethylammonium cation.
Physical chemistry chemical physics : PCCP, 2016, 18, 27603-27612
7226665 CIFC14 H12 Ag F18 N4 PP b c a17.6078; 15.0214; 18.074
90; 90; 90		4780.5Pliquett, Daniel; Schulz, Peter S.; Heinemann, Frank W.; Bause, Angela; Wasserscheid, Peter
Liquid silver tris(perfluoroethyl)trifluorophosphate salts as new media for propene/propane separation.
Physical chemistry chemical physics : PCCP, 2016, 18, 28242-28253
7226666 CIFC10 H6 Ag F18 N2 PP 1 21/n 19.6624; 14.99; 12.85
90; 93.695; 90		1857.3Pliquett, Daniel; Schulz, Peter S.; Heinemann, Frank W.; Bause, Angela; Wasserscheid, Peter
Liquid silver tris(perfluoroethyl)trifluorophosphate salts as new media for propene/propane separation.
Physical chemistry chemical physics : PCCP, 2016, 18, 28242-28253
7226667 CIFC16 H10 Ag F18 N2 PP 1 21/c 112.8087; 10.5095; 16.822
90; 100.596; 90		2225.8Pliquett, Daniel; Schulz, Peter S.; Heinemann, Frank W.; Bause, Angela; Wasserscheid, Peter
Liquid silver tris(perfluoroethyl)trifluorophosphate salts as new media for propene/propane separation.
Physical chemistry chemical physics : PCCP, 2016, 18, 28242-28253
7226671 CIFC17 H79 Eu N19 O24.5 P4P 1 2/n 126.576; 14.451; 27.285
90; 111.21; 90		9769Janicki, Rafał; Kędziorski, Andrzej; Mondry, Anna
The first example of ab initio calculations of f-f transitions for the case of [Eu(DOTP)](5-) complex-experiment versus theory.
Physical chemistry chemical physics : PCCP, 2016, 18, 27808-27817
7226672 CIFC12 H46 Eu K5 N4 O23 P4P 4 c c12.5231; 12.5231; 24.8781
90; 90; 90		3901.6Janicki, Rafał; Kędziorski, Andrzej; Mondry, Anna
The first example of ab initio calculations of f-f transitions for the case of [Eu(DOTP)](5-) complex-experiment versus theory.
Physical chemistry chemical physics : PCCP, 2016, 18, 27808-27817
7226699 CIFC32 H24 N5 OP -110.1252; 10.2626; 13.4382
97.847; 97.577; 113.879		1237.61Dresselhaus, Thomas; Eusterwiemann, Steffen; Matuschek, David R.; Daniliuc, Constantin G.; Janka, Oliver; Pöttgen, Rainer; Studer, Armido; Neugebauer, Johannes
Black-box determination of temperature-dependent susceptibilities for crystalline organic radicals with complex magnetic topologies.
Physical chemistry chemical physics : PCCP, 2016, 18, 28262-28273
7226700 CIFC25 H23 N4 O SiC 1 2/c 119.1687; 16.52; 17.427
90; 123.08; 90		4624.05Dresselhaus, Thomas; Eusterwiemann, Steffen; Matuschek, David R.; Daniliuc, Constantin G.; Janka, Oliver; Pöttgen, Rainer; Studer, Armido; Neugebauer, Johannes
Black-box determination of temperature-dependent susceptibilities for crystalline organic radicals with complex magnetic topologies.
Physical chemistry chemical physics : PCCP, 2016, 18, 28262-28273
7226701 CIFC22 H15 N4 OP 1 21/c 110.513; 18.2406; 10.6648
90; 119.261; 90		1784.2Dresselhaus, Thomas; Eusterwiemann, Steffen; Matuschek, David R.; Daniliuc, Constantin G.; Janka, Oliver; Pöttgen, Rainer; Studer, Armido; Neugebauer, Johannes
Black-box determination of temperature-dependent susceptibilities for crystalline organic radicals with complex magnetic topologies.
Physical chemistry chemical physics : PCCP, 2016, 18, 28262-28273
7226709 CIFC10 H22 Al N2 Na O12P 1 21/n 18.0388; 9.3156; 12.0288
90; 90.792; 90		900.71Ptak, Maciej; Mączka, Mirosław; Gągor, Anna; Sieradzki, Adam; Bondzior, Bartosz; Dereń, Przemysław; Pawlus, S.
Phase transitions and chromium(iii) luminescence in perovskite-type [C2H5NH3][Na0.5CrxAl0.5-x(HCOO)3] (x = 0, 0.025, 0.5), correlated with structural, dielectric and phonon properties.
Physical chemistry chemical physics : PCCP, 2016, 18, 29629-29640
7226710 CIFC10 H22 Al N2 Na O12P 1 n 18.0343; 9.231; 11.9465
90; 90.966; 90		885.88Ptak, Maciej; Mączka, Mirosław; Gągor, Anna; Sieradzki, Adam; Bondzior, Bartosz; Dereń, Przemysław; Pawlus, S.
Phase transitions and chromium(iii) luminescence in perovskite-type [C2H5NH3][Na0.5CrxAl0.5-x(HCOO)3] (x = 0, 0.025, 0.5), correlated with structural, dielectric and phonon properties.
Physical chemistry chemical physics : PCCP, 2016, 18, 29629-29640
7226711 CIFC10 H22 Cr N2 Na O12P 1 n 18.10474; 9.26392; 12.04593
90; 91.1766; 90		904.238Ptak, Maciej; Mączka, Mirosław; Gągor, Anna; Sieradzki, Adam; Bondzior, Bartosz; Dereń, Przemysław; Pawlus, S.
Phase transitions and chromium(iii) luminescence in perovskite-type [C2H5NH3][Na0.5CrxAl0.5-x(HCOO)3] (x = 0, 0.025, 0.5), correlated with structural, dielectric and phonon properties.
Physical chemistry chemical physics : PCCP, 2016, 18, 29629-29640
7226712 CIFC10 H22 Cr N2 Na O12P 1 21/n 18.1066; 9.3455; 12.1283
90; 91.062; 90		918.68Ptak, Maciej; Mączka, Mirosław; Gągor, Anna; Sieradzki, Adam; Bondzior, Bartosz; Dereń, Przemysław; Pawlus, S.
Phase transitions and chromium(iii) luminescence in perovskite-type [C2H5NH3][Na0.5CrxAl0.5-x(HCOO)3] (x = 0, 0.025, 0.5), correlated with structural, dielectric and phonon properties.
Physical chemistry chemical physics : PCCP, 2016, 18, 29629-29640
7226772 CIFC15 H13 N3 O4 SP 1 21/c 17.034; 14.9894; 13.8939
90; 96.387; 90		1455.82Lai, Felcia; Du, Jonathan J.; Williams, Peter A.; Váradi, Linda; Baker, Daniel; Groundwater, Paul W.; Overgaard, Jacob; Platts, James A.; Hibbs, David E.
A comparison of the experimental and theoretical charge density distributions in two polymorphic modifications of piroxicam.
Physical chemistry chemical physics : PCCP, 2016, 18, 28802-28818
7226773 CIFC15 H15 N3 O5 SP -110.3465; 12.7126; 12.8098
102.78; 99.985; 108.728		1500.67Lai, Felcia; Du, Jonathan J.; Williams, Peter A.; Váradi, Linda; Baker, Daniel; Groundwater, Paul W.; Overgaard, Jacob; Platts, James A.; Hibbs, David E.
A comparison of the experimental and theoretical charge density distributions in two polymorphic modifications of piroxicam.
Physical chemistry chemical physics : PCCP, 2016, 18, 28802-28818
7226779 CIFC54 H47 F6 N2 O Os P6P -114.649; 14.7296; 23.2685
103.447; 96.362; 91.092		4847.8Kamecka, Anna; Suwińska, Kinga; Kapturkiewicz, Andrzej
Heteroleptic [Os(H)(CO)(N(∧)N)(tpp)2](+) and [Os(Cl)(CO)(N(∧)N)(tpp)2](+) complexes - comparative studies of their luminescence properties.
Physical chemistry chemical physics : PCCP, 2016, 18, 28982-28996
7226780 CIFC50.5 H42 Cl F6 N2 O Os P3P 42/n28.557; 28.557; 11.9682
90; 90; 90		9760.1Kamecka, Anna; Suwińska, Kinga; Kapturkiewicz, Andrzej
Heteroleptic [Os(H)(CO)(N(∧)N)(tpp)2](+) and [Os(Cl)(CO)(N(∧)N)(tpp)2](+) complexes - comparative studies of their luminescence properties.
Physical chemistry chemical physics : PCCP, 2016, 18, 28982-28996
7226781 CIFC26 H34 Co N4 O4P 1 21/n 116.1119; 7.0151; 21.1805
90; 96.396; 90		2379.1Peng, Yan; Bodenstein, Tilmann; Fink, Karin; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.
Magnetic anisotropy of a Co(II) single ion magnet with distorted trigonal prismatic coordination: theory and experiment.
Physical chemistry chemical physics : PCCP, 2016, 18, 30135-30143
7226872 CIFC25 H19 F3 N2 O5 SP n a 2127.601; 10.773; 7.699
90; 90; 90		2289.3Emenike, Bright U.; Bey, Sara N.; Spinelle, Ronald A.; Jones, Jacob T.; Yoo, Barney; Zeller, Matthias
Cationic CHπ interactions as a function of solvation.
Physical chemistry chemical physics : PCCP, 2016, 18, 30940-30945
7226893 CIFC40 H55 N O11 SP -18.296; 10.559; 22.575
87.07; 89.387; 82.151		1956.4Soulié, Marine; Carayon, Chantal; Saffon, Nathalie; Blanc, Sylvie; Fery-Forgues, Suzanne
A comparative study of nine berberine salts in the solid state: optimization of the photoluminescence and self-association properties through the choice of the anion.
Physical chemistry chemical physics : PCCP, 2016, 18, 29999-30008
7226894 CIFC28 H29 N O8 SP -17.1974; 12.5766; 14.1544
78.981; 87.111; 83.558		1249.13Soulié, Marine; Carayon, Chantal; Saffon, Nathalie; Blanc, Sylvie; Fery-Forgues, Suzanne
A comparative study of nine berberine salts in the solid state: optimization of the photoluminescence and self-association properties through the choice of the anion.
Physical chemistry chemical physics : PCCP, 2016, 18, 29999-30008
7226895 CIFC44 H38 B N O4P 1 21/c 113.2946; 11.5487; 22.664
90; 101.108; 90		3414.5Soulié, Marine; Carayon, Chantal; Saffon, Nathalie; Blanc, Sylvie; Fery-Forgues, Suzanne
A comparative study of nine berberine salts in the solid state: optimization of the photoluminescence and self-association properties through the choice of the anion.
Physical chemistry chemical physics : PCCP, 2016, 18, 29999-30008
7226896 CIFC32 H49 N O10P 1 21/n 111.301; 6.6661; 43.6661
90; 96.49; 90		3268.4Soulié, Marine; Carayon, Chantal; Saffon, Nathalie; Blanc, Sylvie; Fery-Forgues, Suzanne
A comparative study of nine berberine salts in the solid state: optimization of the photoluminescence and self-association properties through the choice of the anion.
Physical chemistry chemical physics : PCCP, 2016, 18, 29999-30008
7226897 CIFC32 H44 N O8.5 SC 1 2/c 143.206; 7.075; 22.126
90; 111.687; 90		6285Soulié, Marine; Carayon, Chantal; Saffon, Nathalie; Blanc, Sylvie; Fery-Forgues, Suzanne
A comparative study of nine berberine salts in the solid state: optimization of the photoluminescence and self-association properties through the choice of the anion.
Physical chemistry chemical physics : PCCP, 2016, 18, 29999-30008
7226898 CIFC22 H18 F6 N2 O8 S2P -17.9779; 14.2778; 21.8106
86.203; 80.015; 89.901		2441.3Soulié, Marine; Carayon, Chantal; Saffon, Nathalie; Blanc, Sylvie; Fery-Forgues, Suzanne
A comparative study of nine berberine salts in the solid state: optimization of the photoluminescence and self-association properties through the choice of the anion.
Physical chemistry chemical physics : PCCP, 2016, 18, 29999-30008
7226957 CIFC15 H16 N2 O4P 1 21/n 18.754; 13.5346; 11.9125
90; 96.941; 90		1401.07Stock, Rafaela I.; de Melo, Carlos E. A.; Schramm, Adriana D. S.; Nicoleti, Celso R.; Bortoluzzi, Adailton J.; Heying, Renata da S; Machado, Vanderlei G.; Rezende, Marcos C.
Structure-behavior study of a family of "hybrid cyanine" dyes which exhibit inverted solvatochromism.
Physical chemistry chemical physics : PCCP, 2016, 18, 32256-32265
7226958 CIFC13 H8 Br2 N2 O3P -18.5277; 10.575; 15.1816
93.258; 101.706; 92.719		1336Stock, Rafaela I.; de Melo, Carlos E. A.; Schramm, Adriana D. S.; Nicoleti, Celso R.; Bortoluzzi, Adailton J.; Heying, Renata da S; Machado, Vanderlei G.; Rezende, Marcos C.
Structure-behavior study of a family of "hybrid cyanine" dyes which exhibit inverted solvatochromism.
Physical chemistry chemical physics : PCCP, 2016, 18, 32256-32265
7226959 CIFC26 H19 N O3P 1 21/c 111.8923; 12.959; 12.7118
90; 97.638; 90		1941.66Stock, Rafaela I.; de Melo, Carlos E. A.; Schramm, Adriana D. S.; Nicoleti, Celso R.; Bortoluzzi, Adailton J.; Heying, Renata da S; Machado, Vanderlei G.; Rezende, Marcos C.
Structure-behavior study of a family of "hybrid cyanine" dyes which exhibit inverted solvatochromism.
Physical chemistry chemical physics : PCCP, 2016, 18, 32256-32265
7226960 CIFC13 H10 Cl2 N2 O4P 1 21/n 18.7179; 13.577; 11.6351
90; 96.555; 90		1368.16Stock, Rafaela I.; de Melo, Carlos E. A.; Schramm, Adriana D. S.; Nicoleti, Celso R.; Bortoluzzi, Adailton J.; Heying, Renata da S; Machado, Vanderlei G.; Rezende, Marcos C.
Structure-behavior study of a family of "hybrid cyanine" dyes which exhibit inverted solvatochromism.
Physical chemistry chemical physics : PCCP, 2016, 18, 32256-32265
7226961 CIFC15 H13 N3 O5P -16.6932; 7.6756; 15.1649
86.795; 85.596; 68.438		722.1Stock, Rafaela I.; de Melo, Carlos E. A.; Schramm, Adriana D. S.; Nicoleti, Celso R.; Bortoluzzi, Adailton J.; Heying, Renata da S; Machado, Vanderlei G.; Rezende, Marcos C.
Structure-behavior study of a family of "hybrid cyanine" dyes which exhibit inverted solvatochromism.
Physical chemistry chemical physics : PCCP, 2016, 18, 32256-32265
7226976 CIFC7 H3 Cl F2 OP 1 21/c 13.7798; 18.113; 10.051
90; 95.479; 90		684.98Dey, Dhananjay; Bhandary, Subhrajyoti; Thomas, Sajesh P.; Spackman, Mark A.; Chopra, Deepak
Energy frameworks and a topological analysis of the supramolecular features in in situ cryocrystallized liquids: tuning the weak interaction landscape via fluorination.
Physical chemistry chemical physics : PCCP, 2016, 18, 31811-31820
7226977 CIFC7 H2 Cl F3 OP 1 21/c 113.4138; 5.1617; 20.5882
90; 97.546; 90		1413.14Dey, Dhananjay; Bhandary, Subhrajyoti; Thomas, Sajesh P.; Spackman, Mark A.; Chopra, Deepak
Energy frameworks and a topological analysis of the supramolecular features in in situ cryocrystallized liquids: tuning the weak interaction landscape via fluorination.
Physical chemistry chemical physics : PCCP, 2016, 18, 31811-31820
7226978 CIFC7 H4 Cl F OP 1 21/n 13.8275; 10.9838; 16.3303
90; 95.919; 90		682.87Dey, Dhananjay; Bhandary, Subhrajyoti; Thomas, Sajesh P.; Spackman, Mark A.; Chopra, Deepak
Energy frameworks and a topological analysis of the supramolecular features in in situ cryocrystallized liquids: tuning the weak interaction landscape via fluorination.
Physical chemistry chemical physics : PCCP, 2016, 18, 31811-31820
7227091 CIFC47.5 H37.5 Cl4.5 N2 O6P 1 21 19.374; 35.9; 12.405
90; 93.387; 90		4167Tanioka, Masaru; Kamino, Shinichiro; Muranaka, Atsuya; Shirasaki, Yoshinao; Ooyama, Yousuke; Ueda, Masashi; Uchiyama, Masanobu; Enomoto, Shuichi; Sawada, Daisuke
Water-tunable solvatochromic and nanoaggregate fluorescence: dual colour visualisation and quantification of trace water in tetrahydrofuran.
Physical chemistry chemical physics : PCCP, 2017, 19, 1209-1216
7227105 CIFC3 H8 Fe N2 O6P n a 218.811; 7.782; 11.657
90; 90; 90		799.3Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam
Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn).
Physical chemistry chemical physics : PCCP, 2016, 18, 31653-31663
7227106 CIFC3 H8 Fe N2 O6P n m a8.736; 11.763; 7.871
90; 90; 90		808.8Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam
Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn).
Physical chemistry chemical physics : PCCP, 2016, 18, 31653-31663
7227107 CIFC3 H8 Fe N2 O6P 637.946; 7.946; 7.618
90; 90; 120		416.6Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam
Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn).
Physical chemistry chemical physics : PCCP, 2016, 18, 31653-31663
7227108 CIFC3 H8 Mn N2 O6P 637.988; 7.988; 7.807
90; 90; 120		431.4Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam
Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn).
Physical chemistry chemical physics : PCCP, 2016, 18, 31653-31663
7227109 CIFC13 H23 Br2 N7 O4 ZnP 1 21/c 111.1965; 13.5143; 12.9627
90; 95.488; 90		1952.43Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam
Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn).
Physical chemistry chemical physics : PCCP, 2016, 18, 31653-31663
7227110 CIFC13 H23 Br2 Cl2 N7 O4 Zn2P -17.5332; 11.2812; 15.5208
101.693; 98.883; 105.224		1215.85Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam
Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn).
Physical chemistry chemical physics : PCCP, 2016, 18, 31653-31663
7227111 CIFC12 H32 Mn4 N8 O24P 1 21 116.137; 7.605; 16.14
90; 119.984; 90		1715.6Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam
Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn).
Physical chemistry chemical physics : PCCP, 2016, 18, 31653-31663
7227137 CIFC47 H40 F6 O3 P2 PdP 1 21/n 117.5019; 9.8634; 25.5915
90; 108.725; 90		4184Zhang, Song-Lin; Deng, Zhu-Qin
Synthesis and reductive elimination of arylPd(ii) trifluoromethyl complexes: a remarkable concentration effect on chemoselectivity.
Physical chemistry chemical physics : PCCP, 2016, 18, 32664-32667
7227150 CIFC4 H4 Mn O6C 1 2/c 113.4976; 7.1793; 7.8799
90; 123.405; 90		637.44Hendon, Christopher H.; Pradaux-Caggiano, Fabienne; Hatcher, Lauren E.; Gee, William J.; Wilson, Chick C.; Butler, Keith T.; Carbery, David R.; Walsh, Aron; Melot, Brent C.
Magnetic coupling in a hybrid Mn(ii) acetylene dicarboxylate.
Physical chemistry chemical physics : PCCP, 2016, 18, 33329-33334
7227208 CIFC10 H F11 N2P 21 21 215.1207; 9.1029; 24.816
90; 90; 90		1156.75Quesada-Moreno, María M; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Jacob, Kane; Vendier, Laure; Etienne, Michel; Alkorta, Ibon; Elguero, José; Claramunt, Rosa M.
Supramolecular organization of perfluorinated 1H-indazoles in the solid state using X-ray crystallography, SSNMR and sensitive (VCD) and non sensitive (MIR, FIR and Raman) to chirality vibrational spectroscopies.
Physical chemistry chemical physics : PCCP, 2017, 19, 1632-1643
7227209 CIFC9 H F9 N2P 3212.4065; 12.4065; 5.5725
90; 90; 120		742.81Quesada-Moreno, María M; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Jacob, Kane; Vendier, Laure; Etienne, Michel; Alkorta, Ibon; Elguero, José; Claramunt, Rosa M.
Supramolecular organization of perfluorinated 1H-indazoles in the solid state using X-ray crystallography, SSNMR and sensitive (VCD) and non sensitive (MIR, FIR and Raman) to chirality vibrational spectroscopies.
Physical chemistry chemical physics : PCCP, 2017, 19, 1632-1643
7227210 CIFC9 H F9 N2P 3212.3863; 12.3863; 5.5727
90; 90; 120		740.42Quesada-Moreno, María M; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Jacob, Kane; Vendier, Laure; Etienne, Michel; Alkorta, Ibon; Elguero, José; Claramunt, Rosa M.
Supramolecular organization of perfluorinated 1H-indazoles in the solid state using X-ray crystallography, SSNMR and sensitive (VCD) and non sensitive (MIR, FIR and Raman) to chirality vibrational spectroscopies.
Physical chemistry chemical physics : PCCP, 2017, 19, 1632-1643
7227211 CIFC25 H23 N O3P 1 21/c 116.3324; 7.7981; 15.33
90; 101.178; 90		1915.4Panchenko, Pavel A.; Arkhipova, Antonina N.; Fedorova, Olga A.; Fedorov, Yuri V.; Zakharko, Marina A.; Arkhipov, Dmitry E.; Jonusauskas, Gediminas
Controlling photophysics of styrylnaphthalimides through TICT, fluorescence and E,Z-photoisomerization interplay.
Physical chemistry chemical physics : PCCP, 2017, 19, 1244-1256
7227212 CIFC26 H25 N O4P 1 21/n 112.6799; 9.0474; 18.899
90; 103.126; 90		2111.4Panchenko, Pavel A.; Arkhipova, Antonina N.; Fedorova, Olga A.; Fedorov, Yuri V.; Zakharko, Marina A.; Arkhipov, Dmitry E.; Jonusauskas, Gediminas
Controlling photophysics of styrylnaphthalimides through TICT, fluorescence and E,Z-photoisomerization interplay.
Physical chemistry chemical physics : PCCP, 2017, 19, 1244-1256
7227213 CIFC26 H26 N2 O2P -17.466; 13.752; 20.182
82.47; 84.186; 89.182		2043.7Panchenko, Pavel A.; Arkhipova, Antonina N.; Fedorova, Olga A.; Fedorov, Yuri V.; Zakharko, Marina A.; Arkhipov, Dmitry E.; Jonusauskas, Gediminas
Controlling photophysics of styrylnaphthalimides through TICT, fluorescence and E,Z-photoisomerization interplay.
Physical chemistry chemical physics : PCCP, 2017, 19, 1244-1256
7227251 CIFC8 H20 B0.504 F4.992 N P0.496I -49.324; 9.324; 7.1369
90; 90; 90		620.5Matsumoto, Kazuhiko; Nonaka, Ryojun; Wang, Yushen; Veryasov, Gleb; Hagiwara, Rika
Formation of a solid solution between [N(C2H5)4][BF4] and [N(C2H5)4][PF6] in crystal and plastic crystal phases.
Physical chemistry chemical physics : PCCP, 2017, 19, 2053-2059
7227252 CIFC18 H18 N4 O2P 1 21/c 15.8457; 13.5935; 9.8497
90; 98.476; 90		774.14Leblanc, Nicolas; Genovese, Damiano; De Cola, Luisa; Powell, Annie K.
A platform with connections in many directions - further remarkable facets to the multifaceted methylbiquinoxen dication.
Physical chemistry chemical physics : PCCP, 2017, 19, 6981-6988
7227253 CIFC20 H22 N4 O2P c a b10.2451; 11.074; 15.3632
90; 90; 90		1743Leblanc, Nicolas; Genovese, Damiano; De Cola, Luisa; Powell, Annie K.
A platform with connections in many directions - further remarkable facets to the multifaceted methylbiquinoxen dication.
Physical chemistry chemical physics : PCCP, 2017, 19, 6981-6988
7227254 CIFC26 H34 N4 O4P 1 21/a 18.6751; 11.2503; 13.3424
90; 94.681; 90		1297.84Leblanc, Nicolas; Genovese, Damiano; De Cola, Luisa; Powell, Annie K.
A platform with connections in many directions - further remarkable facets to the multifaceted methylbiquinoxen dication.
Physical chemistry chemical physics : PCCP, 2017, 19, 6981-6988
7227255 CIFC22 H26 N4 O2P 1 21/a 18.829; 11.313; 10.403
90; 107.834; 90		989.1Leblanc, Nicolas; Genovese, Damiano; De Cola, Luisa; Powell, Annie K.
A platform with connections in many directions - further remarkable facets to the multifaceted methylbiquinoxen dication.
Physical chemistry chemical physics : PCCP, 2017, 19, 6981-6988
7227311 CIFC26 H18 Co N4 O2 S2P 21 21 216.7549; 11.0133; 32.2549
90; 90; 90		2399.56Rams, Michał; Tomkowicz, Zbigniew; Böhme, Michael; Plass, Winfried; Suckert, Stefan; Werner, Julia; Jess, Inke; Näther, Christian
Influence of metal coordination and co-ligands on the magnetic properties of 1D Co(NCS)2 coordination polymers.
Physical chemistry chemical physics : PCCP, 2017, 19, 3232-3243
7227312 CIFC16 H14 Co N4 S2P -19.105; 10.7073; 11.0049
115.112; 93.167; 110.952		879.62Rams, Michał; Tomkowicz, Zbigniew; Böhme, Michael; Plass, Winfried; Suckert, Stefan; Werner, Julia; Jess, Inke; Näther, Christian
Influence of metal coordination and co-ligands on the magnetic properties of 1D Co(NCS)2 coordination polymers.
Physical chemistry chemical physics : PCCP, 2017, 19, 3232-3243
7227313 CIFC54 H45 Cr N16 O8 Ru2 SP 1 21 112.3182; 22.004; 13.2118
90; 109.093; 90		3384.1Cadranel, Alejandro; Tate, Jaired E.; Oviedo, Paola S.; Yamazaki, Shiori; Hodak, José H; Baraldo, Luis M.; Kleiman, Valeria D.
Distant ultrafast energy transfer in a trimetallic {Ru-Ru-Cr} complex facilitated by hole delocalization.
Physical chemistry chemical physics : PCCP, 2017, 19, 2882-2893
7227314 CIFC47 H43 Cl F12 N10 O P2 Ru2P 1 21/c 113.779; 18.119; 22.414
90; 92.599; 90		5590Cadranel, Alejandro; Tate, Jaired E.; Oviedo, Paola S.; Yamazaki, Shiori; Hodak, José H; Baraldo, Luis M.; Kleiman, Valeria D.
Distant ultrafast energy transfer in a trimetallic {Ru-Ru-Cr} complex facilitated by hole delocalization.
Physical chemistry chemical physics : PCCP, 2017, 19, 2882-2893
7227334 CIFC32 H16 F6C 1 2/c 17.4459; 17.9293; 17.1981
90; 98.529; 90		2270.6Dračínský, Martin; Storch, Jan; Církva, Vladimír; Císařová, Ivana; Sýkora, Jan
Internal dynamics in helical molecules studied by X-ray diffraction, NMR spectroscopy and DFT calculations.
Physical chemistry chemical physics : PCCP, 2017, 19, 2900-2907
7227335 CIFC26 H12 F4P 1 21/n 17.5783; 20.3575; 11.4292
90; 101.178; 90		1729.8Dračínský, Martin; Storch, Jan; Církva, Vladimír; Císařová, Ivana; Sýkora, Jan
Internal dynamics in helical molecules studied by X-ray diffraction, NMR spectroscopy and DFT calculations.
Physical chemistry chemical physics : PCCP, 2017, 19, 2900-2907
7227336 CIFC26 H16P 21 21 217.3058; 12.947; 17.4452
90; 90; 90		1650.11Dračínský, Martin; Storch, Jan; Církva, Vladimír; Císařová, Ivana; Sýkora, Jan
Internal dynamics in helical molecules studied by X-ray diffraction, NMR spectroscopy and DFT calculations.
Physical chemistry chemical physics : PCCP, 2017, 19, 2900-2907
7227337 CIFC26 H16P 21 21 217.3417; 13.1529; 17.5885
90; 90; 90		1698.43Dračínský, Martin; Storch, Jan; Církva, Vladimír; Císařová, Ivana; Sýkora, Jan
Internal dynamics in helical molecules studied by X-ray diffraction, NMR spectroscopy and DFT calculations.
Physical chemistry chemical physics : PCCP, 2017, 19, 2900-2907
7227338 CIFC26 H16P 21 21 217.328; 13.04; 17.449
90; 90; 90		1667.38Dračínský, Martin; Storch, Jan; Církva, Vladimír; Císařová, Ivana; Sýkora, Jan
Internal dynamics in helical molecules studied by X-ray diffraction, NMR spectroscopy and DFT calculations.
Physical chemistry chemical physics : PCCP, 2017, 19, 2900-2907
7227352 CIFC101.5 H61.5 Br4 Cl4.5 Cu2 N10 O4P -110.166; 13.696; 17.241
104.5; 105.38; 92.03		2227.5Chahal, Mandeep K.; Sankar, Muniappan; Butcher, Ray J.
An insight into the communication between β-olefin/phenyl olefin-mediated acceptors and porphyrin π-system: a way to establish porphyrin based chemodosimeters and chemosensors.
Physical chemistry chemical physics : PCCP, 2017, 19, 4530-4540
7227353 CIFC64 H34 N9 Ni O2C 1 2/c 124.899; 12.615; 33.689
90; 98.7; 90		10460Chahal, Mandeep K.; Sankar, Muniappan; Butcher, Ray J.
An insight into the communication between β-olefin/phenyl olefin-mediated acceptors and porphyrin π-system: a way to establish porphyrin based chemodosimeters and chemosensors.
Physical chemistry chemical physics : PCCP, 2017, 19, 4530-4540
7227354 CIFC233 H141 Cl3 N20 Ni4 O16P -113.236; 16.471; 24.435
90.79; 103.49; 96.01		5148Chahal, Mandeep K.; Sankar, Muniappan; Butcher, Ray J.
An insight into the communication between β-olefin/phenyl olefin-mediated acceptors and porphyrin π-system: a way to establish porphyrin based chemodosimeters and chemosensors.
Physical chemistry chemical physics : PCCP, 2017, 19, 4530-4540
7227366 CIFC9 H9 Cl2 N3P 1 21/c 117.8433; 8.2767; 15.1223
90; 115.072; 90		2022.88Kolesnikova, Inna N.; Rykov, Anatolii N.; Shishkov, Igor F.; Tafeenko, Victor A.; Aslanov, Leonid A.
Molecular structure of clonidine: gas-phase electron diffraction, single-crystal X-ray diffraction and quantum chemical studies.
Physical chemistry chemical physics : PCCP, 2017, 19, 4618-4626
7227367 CIFC15 H34 Br PP 1 21/c 118.2906; 7.9655; 12.6721
90; 93.119; 90		1843.51Gamarra, Ana; Urpí, Lourdes; Martínez de Ilarduya, Antxon; Muñoz-Guerra, Sebastián
Crystalline structure and thermotropic behavior of alkyltrimethylphosphonium amphiphiles.
Physical chemistry chemical physics : PCCP, 2017, 19, 4370-4382
7227385 CIFC30 H20 O4P 21 21 219.008; 15.383; 15.627
90; 90; 90		2165.43Mukhopadhyay, Arindam; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha
Remarkable influence of 'phane effect' on the excited-state properties of cofacially oriented coumarins.
Physical chemistry chemical physics : PCCP, 2017, 19, 4758-4767
7227386 CIFC20 H20 O2P -111.798; 12.109; 12.211
95.007; 102.009; 110.256		1576.5Mukhopadhyay, Arindam; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha
Remarkable influence of 'phane effect' on the excited-state properties of cofacially oriented coumarins.
Physical chemistry chemical physics : PCCP, 2017, 19, 4758-4767
7227387 CIFC4 H4 Li2 O6C 1 2 115.247; 5.005; 10.4052
90; 131.936; 90		590.68Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.
Hidden negative linear compressibility in lithium l-tartrate.
Physical chemistry chemical physics : PCCP, 2017, 19, 3544-3549
7227388 CIFC4 H2 Li2 O6C 1 2 115.075; 4.9857; 10.382
90; 131.84; 90		581.3Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.
Hidden negative linear compressibility in lithium l-tartrate.
Physical chemistry chemical physics : PCCP, 2017, 19, 3544-3549
7227389 CIFC4 H4 Li2 O6C 1 2 114.342; 4.8946; 10.487
90; 133.01; 90		538.3Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.
Hidden negative linear compressibility in lithium l-tartrate.
Physical chemistry chemical physics : PCCP, 2017, 19, 3544-3549
7227390 CIFC4 H2 Li2 O6C 1 2 114.84; 4.98; 10.36
90; 131.64; 90		572Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.
Hidden negative linear compressibility in lithium l-tartrate.
Physical chemistry chemical physics : PCCP, 2017, 19, 3544-3549
7227391 CIFC4 H4 Li2 O6C 1 2 114.168; 4.8351; 10.715
90; 134.825; 90		520.6Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.
Hidden negative linear compressibility in lithium l-tartrate.
Physical chemistry chemical physics : PCCP, 2017, 19, 3544-3549
7227392 CIFC4 H4 Li2 O6C 1 2 114.095; 4.8107; 10.788
90; 135.458; 90		513.1Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.
Hidden negative linear compressibility in lithium l-tartrate.
Physical chemistry chemical physics : PCCP, 2017, 19, 3544-3549
7227393 CIFC4 H4 Li2 O6C 1 2 114.639; 4.9393; 10.379
90; 132.027; 90		557.5Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.
Hidden negative linear compressibility in lithium l-tartrate.
Physical chemistry chemical physics : PCCP, 2017, 19, 3544-3549
7227394 CIFC4 H2 Li2 O6C 1 2 115.181; 4.9938; 10.405
90; 131.943; 90		586.73Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.
Hidden negative linear compressibility in lithium l-tartrate.
Physical chemistry chemical physics : PCCP, 2017, 19, 3544-3549
7227395 CIFC4 H4 Li2 O6C 1 2 114.477; 4.9154; 10.425
90; 132.46; 90		547.3Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.
Hidden negative linear compressibility in lithium l-tartrate.
Physical chemistry chemical physics : PCCP, 2017, 19, 3544-3549
7227396 CIFC4 H4 Li2 O6C 1 2 114.024; 4.789; 10.837
90; 135.927; 90		506.3Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.
Hidden negative linear compressibility in lithium l-tartrate.
Physical chemistry chemical physics : PCCP, 2017, 19, 3544-3549
7227397 CIFC4 H4 Li2 O6C 1 2 114.67; 4.946; 10.365
90; 131.97; 90		559.2Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.
Hidden negative linear compressibility in lithium l-tartrate.
Physical chemistry chemical physics : PCCP, 2017, 19, 3544-3549
7227398 CIFC4 H4 Li2 O6C 1 2 114.231; 4.856; 10.642
90; 134.235; 90		526.9Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.
Hidden negative linear compressibility in lithium l-tartrate.
Physical chemistry chemical physics : PCCP, 2017, 19, 3544-3549
7227399 CIFC4 H4 Li2 O6C 1 2 114.126; 4.8218; 10.753
90; 135.162; 90		516.4Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A.
Hidden negative linear compressibility in lithium l-tartrate.
Physical chemistry chemical physics : PCCP, 2017, 19, 3544-3549
7227454 CIFC13 H15 F6 P RuP 21 21 218.7719; 12.685; 12.779
90; 90; 90		1421.9Tominaga, Takumi; Ueda, Takahiro; Mochida, Tomoyuki
Effect of substituents and anions on the phase behavior of Ru(ii) sandwich complexes: exploring the boundaries between ionic liquids and ionic plastic crystals.
Physical chemistry chemical physics : PCCP, 2017, 19, 4352-4359
7227455 CIFC15 H11 N3 RuP 1 21/n 17.2375; 17.759; 20.303
90; 97.97; 90		2584.4Tominaga, Takumi; Ueda, Takahiro; Mochida, Tomoyuki
Effect of substituents and anions on the phase behavior of Ru(ii) sandwich complexes: exploring the boundaries between ionic liquids and ionic plastic crystals.
Physical chemistry chemical physics : PCCP, 2017, 19, 4352-4359
7227481 CIFC83 H24 O2P 1 21/c 118.8302; 13.26542; 18.4305
90; 105.958; 90		4426.36Xue, Hong-Tao; Boschetto, Gabriele; Krompiec, Michal; Morse, Graham E.; Tang, Fu-Ling; Skylaris, Chris-Kriton
Linear-scaling density functional simulations of the effect of crystallographic structure on the electronic and optical properties of fullerene solvates.
Physical chemistry chemical physics : PCCP, 2017, 19, 5617-5628
7227530 CIFC49 H22 Co F15 N6 O2C 1 2/c 130.225; 16.6117; 31.83
90; 116.663; 90		14282Xu, Liang; Lei, Haitao; Zhang, Zongyao; Yao, Zhen; Li, Jianfeng; Yu, Zhiyong; Cao, Rui
The effect of the trans axial ligand of cobalt corroles on water oxidation activity in neutral aqueous solutions.
Physical chemistry chemical physics : PCCP, 2017, 19, 9755-9761
7227531 CIFC34 H27 F2 N O2 Pt SiP -19.181; 9.435; 18.057
97.901; 104.26; 102.17		1452Cho, Yang-Jin; Kim, So-Yoen; Son, Ho-Jin; Cho, Dae Won; Kang, Sang Ook
Steric effect on excimer formation in planar Pt(ii) complexes.
Physical chemistry chemical physics : PCCP, 2017, 19, 5486-5494
7227532 CIFC16 H13 F2 N O2 PtP 1 21/n 110.3177; 7.676; 19.0308
90; 92.402; 90		1505.9Cho, Yang-Jin; Kim, So-Yoen; Son, Ho-Jin; Cho, Dae Won; Kang, Sang Ook
Steric effect on excimer formation in planar Pt(ii) complexes.
Physical chemistry chemical physics : PCCP, 2017, 19, 5486-5494
7227539 CIFC14 H12 B F2 N O2P 1 21/c 115.2729; 6.9098; 23.4483
90; 91.266; 90		2474Bednarska, Joanna; Zaleśny, Robert; Wielgus, Małgorzata; Jędrzejewska, Beata; Puttreddy, Rakesh; Rissanen, Kari; Bartkowiak, Wojciech; Ågren, Hans; Ośmiałowski, Borys
Two-photon absorption of BF2-carrying compounds: insights from theory and experiment.
Physical chemistry chemical physics : PCCP, 2017, 19, 5705-5708
7227540 CIFC15 H15 B F2 N2 OP c a 2131.155; 7.7105; 11.419
90; 90; 90		2743.1Bednarska, Joanna; Zaleśny, Robert; Wielgus, Małgorzata; Jędrzejewska, Beata; Puttreddy, Rakesh; Rissanen, Kari; Bartkowiak, Wojciech; Ågren, Hans; Ośmiałowski, Borys
Two-photon absorption of BF2-carrying compounds: insights from theory and experiment.
Physical chemistry chemical physics : PCCP, 2017, 19, 5705-5708
7227676 CIFC15 H13 Co N2P b c a8.0533; 25.607; 45.045
90; 90; 90		9289.2Reinhardt, Maxwell; Dalgleish, Simon; Shuku, Yoshiaki; Reissig, Louisa; Matsushita, Michio M.; Crain, Jason; Awaga, Kunio; Robertson, Neil
Molecular and thin film properties of cobalt half-sandwich compounds for optoelectronic application.
Physical chemistry chemical physics : PCCP, 2017, 19, 6768-6776
7227709 CIFC18 H10 N4P 1 21/c 18.0644; 25.5256; 7.0058
90; 108.253; 90		1369.57Reig, Marta; Bagdziunas, Gintautas; Volyniuk, Dmytro; Grazulevicius, Juozas V.; Velasco, Dolores
Tuning the ambipolar charge transport properties of tricyanovinyl-substituted carbazole-based materials.
Physical chemistry chemical physics : PCCP, 2017, 19, 6721-6730
7227710 CIFC19 H12 N4 OP 1 21/n 16.8946; 16.799; 13.329
90; 93.493; 90		1540.9Reig, Marta; Bagdziunas, Gintautas; Volyniuk, Dmytro; Grazulevicius, Juozas V.; Velasco, Dolores
Tuning the ambipolar charge transport properties of tricyanovinyl-substituted carbazole-based materials.
Physical chemistry chemical physics : PCCP, 2017, 19, 6721-6730
7227776 CIFC48 H82 K2 O42I 4 3 231.3469; 31.3469; 31.3469
90; 90; 90		30802.3Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej
Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.
Physical chemistry chemical physics : PCCP, 2017, 19, 9086-9091
7227777 CIFC48 H82 K2 O42I 4 3 231.3031; 31.3031; 31.3031
90; 90; 90		30673.4Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej
Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.
Physical chemistry chemical physics : PCCP, 2017, 19, 9086-9091
7227778 CIFC48 H82 K2 O42I 4 3 231.2695; 31.2695; 31.2695
90; 90; 90		30575Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej
Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.
Physical chemistry chemical physics : PCCP, 2017, 19, 9086-9091
7227779 CIFC48 H82 K2 O42I 4 3 231.238; 31.238; 31.238
90; 90; 90		30482Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej
Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.
Physical chemistry chemical physics : PCCP, 2017, 19, 9086-9091
7227780 CIFC48 H82 K2 O42I 4 3 231.223; 31.223; 31.223
90; 90; 90		30439Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej
Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.
Physical chemistry chemical physics : PCCP, 2017, 19, 9086-9091
7227781 CIFC48 H82 K2 O42I 4 3 231.179; 31.179; 31.179
90; 90; 90		30310Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej
Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.
Physical chemistry chemical physics : PCCP, 2017, 19, 9086-9091
7227782 CIFC48 H82 K2 O42I 4 3 230.988; 30.988; 30.988
90; 90; 90		29756Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej
Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.
Physical chemistry chemical physics : PCCP, 2017, 19, 9086-9091
7227783 CIFC48 H82 K2 O42I 4 3 230.968; 30.968; 30.968
90; 90; 90		29699Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej
Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.
Physical chemistry chemical physics : PCCP, 2017, 19, 9086-9091
7227784 CIFC48 H82 K2 O42I 4 3 230.898; 30.898; 30.898
90; 90; 90		29498Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej
Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.
Physical chemistry chemical physics : PCCP, 2017, 19, 9086-9091
7227785 CIFC48 H82 K2 O42R 3 243.6764; 43.6764; 28.1864
90; 90; 120		46565Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej
Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.
Physical chemistry chemical physics : PCCP, 2017, 19, 9086-9091
7227786 CIFC48 H82 K2 O42R 3 2 :H43.367; 43.367; 28.09
90; 90; 120		45751Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej
Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.
Physical chemistry chemical physics : PCCP, 2017, 19, 9086-9091
7227787 CIFC48 H82 K2 O42R 3 2 :H43.643; 43.643; 28.059
90; 90; 120		46284Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej
Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.
Physical chemistry chemical physics : PCCP, 2017, 19, 9086-9091
7227788 CIFC48 H82 K2 O42R 3 2 :H43.26; 43.26; 28.104
90; 90; 120		45548Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej
Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.
Physical chemistry chemical physics : PCCP, 2017, 19, 9086-9091
7227789 CIFC48 H82 K2 O42I 4 3 231.2093; 31.2093; 31.2093
90; 90; 90		30398Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej
Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.
Physical chemistry chemical physics : PCCP, 2017, 19, 9086-9091
7227790 CIFC48 H82 K2 O42I 4 3 231.2093; 31.2093; 31.2093
90; 90; 90		30398.5Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej
Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.
Physical chemistry chemical physics : PCCP, 2017, 19, 9086-9091
7227791 CIFC8 H7 N O SP b c a10.0478; 10.3511; 14.6556
90; 90; 90		1524.27Huang, Chun-Hao; Wu, Pei-Jhen; Chung, Kun-You; Chen, Yi-An; Li, Elise Y.; Chou, Pi-Tai
Room-temperature phosphorescence from small organic systems containing a thiocarbonyl moiety.
Physical chemistry chemical physics : PCCP, 2017, 19, 8896-8901
7227792 CIFC8 H6 Br N S2P -16.9208; 7.5423; 8.8756
85.0711; 82.0272; 89.0243		457.11Huang, Chun-Hao; Wu, Pei-Jhen; Chung, Kun-You; Chen, Yi-An; Li, Elise Y.; Chou, Pi-Tai
Room-temperature phosphorescence from small organic systems containing a thiocarbonyl moiety.
Physical chemistry chemical physics : PCCP, 2017, 19, 8896-8901
7227793 CIFC8 H7 N S2P 1 21/c 17.025; 8.6002; 13.5237
90; 100.788; 90		802.61Huang, Chun-Hao; Wu, Pei-Jhen; Chung, Kun-You; Chen, Yi-An; Li, Elise Y.; Chou, Pi-Tai
Room-temperature phosphorescence from small organic systems containing a thiocarbonyl moiety.
Physical chemistry chemical physics : PCCP, 2017, 19, 8896-8901
7227794 CIFC8 H6 I N S2P 1 21/n 17.3765; 18.9914; 7.7127
90; 118.059; 90		953.48Huang, Chun-Hao; Wu, Pei-Jhen; Chung, Kun-You; Chen, Yi-An; Li, Elise Y.; Chou, Pi-Tai
Room-temperature phosphorescence from small organic systems containing a thiocarbonyl moiety.
Physical chemistry chemical physics : PCCP, 2017, 19, 8896-8901
7228383 CIFC20 H27 Cl F6 Ir N4 PP 1 21/n 19.121; 28.247; 9.246
90; 93.306; 90		2378.2Zhao, Qiangli; Liu, Fengyi; Wang, Weina; Li, Chunying; Lü, Jian; Wang, Wenliang
Reactions between hydroxyl-substituted alkylperoxy radicals and Criegee intermediates: correlations of the electronic characteristics of methyl substituents and the reactivity.
Physical chemistry chemical physics : PCCP, 2017
7228384 CIFC80 H120 Cl16 F24 Ir4 N24 O P4C 1 2/c 137.887; 8.061; 20.793
90; 111.38; 90		5913Zhao, Qiangli; Liu, Fengyi; Wang, Weina; Li, Chunying; Lü, Jian; Wang, Wenliang
Reactions between hydroxyl-substituted alkylperoxy radicals and Criegee intermediates: correlations of the electronic characteristics of methyl substituents and the reactivity.
Physical chemistry chemical physics : PCCP, 2017
7228385 CIFC21 H33 Cl3 F6 Ir N6 PP -17.6814; 12.408; 16.186
78.662; 85.451; 72.021		1438.4Zhao, Qiangli; Liu, Fengyi; Wang, Weina; Li, Chunying; Lü, Jian; Wang, Wenliang
Reactions between hydroxyl-substituted alkylperoxy radicals and Criegee intermediates: correlations of the electronic characteristics of methyl substituents and the reactivity.
Physical chemistry chemical physics : PCCP, 2017
7228925 CIFC13 H28 Cl4 Fe N O4P -19.6258; 10.1155; 12.305
109.255; 94.577; 100.77		1098.2Oba, Yukiko; Okuhata, Megumi; Osakai, Toshiyuki; Mochida, Tomoyuki
Solvate and protic ionic liquids from aza-crown ethers: synthesis, thermal properties, and LCST behavior.
Physical chemistry chemical physics : PCCP, 2018, 20, 3118-3127
7229495 CIFC46 H61 O3 P SP 1 21/c 123.205; 9.153; 19.653
90; 99.912; 90		4112Hisamitsu, Shota; Yanai, Nobuhiro; Kouno, Hironori; Magome, Eisuke; Matsuki, Masaya; Yamada, Teppei; Monguzzi, Angelo; Kimizuka, Nobuo
Two-dimensional structural ordering in a chromophoric ionic liquid for triplet energy migration-based photon upconversion.
Physical chemistry chemical physics : PCCP, 2018, 20, 3233-3240
7229515 CIFC30 H18 N2 S3P 1 c 112.36487; 9.88933; 9.81295
90; 104.362; 90		1162.43Pearce, Nicholas; Davies, E. Stephen; Horvath, Raphael; Pfeiffer, Constance R.; Sun, Xue-Zhong; Lewis, William; McMaster, Jonathan; George, Michael W.; Champness, Neil R.
Thionated naphthalene diimides: tuneable chromophores for applications in photoactive dyads.
Physical chemistry chemical physics : PCCP, 2018, 20, 752-764
7229516 CIFC41 H34 Cl3 N3 O4 SP -18.7193; 11.6007; 18.7861
87.754; 87.804; 78.925		1862.47Pearce, Nicholas; Davies, E. Stephen; Horvath, Raphael; Pfeiffer, Constance R.; Sun, Xue-Zhong; Lewis, William; McMaster, Jonathan; George, Michael W.; Champness, Neil R.
Thionated naphthalene diimides: tuneable chromophores for applications in photoactive dyads.
Physical chemistry chemical physics : PCCP, 2018, 20, 752-764
7229517 CIFC24 H26 N2 O3 SP 1 21/c 19.1049; 8.6592; 13.7163
90; 100.773; 90		1062.35Pearce, Nicholas; Davies, E. Stephen; Horvath, Raphael; Pfeiffer, Constance R.; Sun, Xue-Zhong; Lewis, William; McMaster, Jonathan; George, Michael W.; Champness, Neil R.
Thionated naphthalene diimides: tuneable chromophores for applications in photoactive dyads.
Physical chemistry chemical physics : PCCP, 2018, 20, 752-764
7229518 CIFC40 H33 N3 O S4P 1 c 127.433; 14.3097; 8.5187
90; 93.32; 90		3338.47Pearce, Nicholas; Davies, E. Stephen; Horvath, Raphael; Pfeiffer, Constance R.; Sun, Xue-Zhong; Lewis, William; McMaster, Jonathan; George, Michael W.; Champness, Neil R.
Thionated naphthalene diimides: tuneable chromophores for applications in photoactive dyads.
Physical chemistry chemical physics : PCCP, 2018, 20, 752-764
7229519 CIFC24 H26 N2 O2 S2P 1 21/c 18.7955; 9.477; 12.8838
90; 92.537; 90		1072.88Pearce, Nicholas; Davies, E. Stephen; Horvath, Raphael; Pfeiffer, Constance R.; Sun, Xue-Zhong; Lewis, William; McMaster, Jonathan; George, Michael W.; Champness, Neil R.
Thionated naphthalene diimides: tuneable chromophores for applications in photoactive dyads.
Physical chemistry chemical physics : PCCP, 2018, 20, 752-764
7229520 CIFC24 H26 N2 O4P 1 21/n 113.41; 8.3348; 18.3351
90; 101.022; 90		2011.51Pearce, Nicholas; Davies, E. Stephen; Horvath, Raphael; Pfeiffer, Constance R.; Sun, Xue-Zhong; Lewis, William; McMaster, Jonathan; George, Michael W.; Champness, Neil R.
Thionated naphthalene diimides: tuneable chromophores for applications in photoactive dyads.
Physical chemistry chemical physics : PCCP, 2018, 20, 752-764
7229521 CIFC31 H19 Cl3 N2 O2 SP b c a9.07634; 18.5416; 31.2516
90; 90; 90		5259.33Pearce, Nicholas; Davies, E. Stephen; Horvath, Raphael; Pfeiffer, Constance R.; Sun, Xue-Zhong; Lewis, William; McMaster, Jonathan; George, Michael W.; Champness, Neil R.
Thionated naphthalene diimides: tuneable chromophores for applications in photoactive dyads.
Physical chemistry chemical physics : PCCP, 2018, 20, 752-764
7229592 CIFC45 H38 S2C 1 2/c 122.8514; 12.0435; 13.7823
90; 115.769; 90		3415.84Uematsu, K.; Noguchi, K.; Nakano, K.
Synthesis and properties of [7]helicene and [7]helicene-like compounds with a cyclopenta[1,2-b:4,3-b']dithiophene or dithieno[2,3-b:3',2'-d]heterole skeleton.
Physical chemistry chemical physics : PCCP, 2018, 20, 3286-3295
7229593 CIFC30 H17 O P S2P 1 21/n 112.014; 9.11776; 21.2612
90; 104.426; 90		2255.54Uematsu, K.; Noguchi, K.; Nakano, K.
Synthesis and properties of [7]helicene and [7]helicene-like compounds with a cyclopenta[1,2-b:4,3-b']dithiophene or dithieno[2,3-b:3',2'-d]heterole skeleton.
Physical chemistry chemical physics : PCCP, 2018, 20, 3286-3295
7229594 CIFC26.5 H15.5 Cl1.5 N O S2P -112.1314; 12.3033; 14.3697
83.5273; 85.5012; 81.3505		2102.73Uematsu, K.; Noguchi, K.; Nakano, K.
Synthesis and properties of [7]helicene and [7]helicene-like compounds with a cyclopenta[1,2-b:4,3-b']dithiophene or dithieno[2,3-b:3',2'-d]heterole skeleton.
Physical chemistry chemical physics : PCCP, 2018, 20, 3286-3295
7229615 CIFC23 H19 N O3 PtP 1 21/c 114.133; 8.6154; 16.031
90; 94.639; 90		1945.6Okamura, Naoki; Maeda, Takeshi; Fujiwara, Hideki; Soman, Anjaly; Unni, K. N. Narayanan; Ajayaghosh, Ayyappanpillai; Yagi, Shigeyuki
Photokinetic study on remarkable excimer phosphorescence from heteroleptic cyclometalated platinum(ii) complexes bearing a benzoylated 2-phenylpyridinate ligand.
Physical chemistry chemical physics : PCCP, 2017, 20, 542-552
7229616 CIFC23 H18 F N O3 PtP -16.9367; 11.512; 13.017
81.915; 76.395; 72.742		962Okamura, Naoki; Maeda, Takeshi; Fujiwara, Hideki; Soman, Anjaly; Unni, K. N. Narayanan; Ajayaghosh, Ayyappanpillai; Yagi, Shigeyuki
Photokinetic study on remarkable excimer phosphorescence from heteroleptic cyclometalated platinum(ii) complexes bearing a benzoylated 2-phenylpyridinate ligand.
Physical chemistry chemical physics : PCCP, 2017, 20, 542-552
7229617 CIFC23 H17 F2 N O3 PtP 1 21/c 111.922; 12.312; 14.055
90; 103.866; 90		2002.9Okamura, Naoki; Maeda, Takeshi; Fujiwara, Hideki; Soman, Anjaly; Unni, K. N. Narayanan; Ajayaghosh, Ayyappanpillai; Yagi, Shigeyuki
Photokinetic study on remarkable excimer phosphorescence from heteroleptic cyclometalated platinum(ii) complexes bearing a benzoylated 2-phenylpyridinate ligand.
Physical chemistry chemical physics : PCCP, 2017, 20, 542-552
7229631 CIFC19 H12 N4P 1 21/c 17.0914; 12.8955; 16.1234
90; 99.027; 90		1456.18Reig, Marta; Puigdollers, Joaquim; Velasco, Dolores
Solid-state organization of n-type carbazole-based semiconductors for organic thin-film transistors.
Physical chemistry chemical physics : PCCP, 2018, 20, 1142-1149
7229632 CIFC25 H24 N4P -17.917; 8.777; 16.892
92.79; 102.2; 107.3		1087.5Reig, Marta; Puigdollers, Joaquim; Velasco, Dolores
Solid-state organization of n-type carbazole-based semiconductors for organic thin-film transistors.
Physical chemistry chemical physics : PCCP, 2018, 20, 1142-1149
7229633 CIFC21 H16 N4P 1 21/c 18.7842; 24.486; 8.1096
90; 110.652; 90		1632.2Reig, Marta; Puigdollers, Joaquim; Velasco, Dolores
Solid-state organization of n-type carbazole-based semiconductors for organic thin-film transistors.
Physical chemistry chemical physics : PCCP, 2018, 20, 1142-1149
7229634 CIFC29 H32 N4P -17.7023; 8.911; 20.022
77.669; 84.775; 73.953		1289.4Reig, Marta; Puigdollers, Joaquim; Velasco, Dolores
Solid-state organization of n-type carbazole-based semiconductors for organic thin-film transistors.
Physical chemistry chemical physics : PCCP, 2018, 20, 1142-1149
7229648 CIFC6 H10 O4P 1 21/c 17.3663; 5.1555; 10.1436
90; 112.329; 90		356.34Mir, Sajjad Husain; Takasaki, Yuichi; Takamizawa, Satoshi
An organoferroelasticity driven by molecular conformational change.
Physical chemistry chemical physics : PCCP, 2018, 20, 4631-4635
7229649 CIFC6 H10 O4P 1 21/c 17.3693; 5.1566; 10.1453
90; 112.354; 90		356.56Mir, Sajjad Husain; Takasaki, Yuichi; Takamizawa, Satoshi
An organoferroelasticity driven by molecular conformational change.
Physical chemistry chemical physics : PCCP, 2018, 20, 4631-4635
7229694 CIFC7 H5 N OP b c n9.126; 10.606; 25.328
90; 90; 90		2451.5Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A
XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.
Physical chemistry chemical physics : PCCP, 2018, 20, 1984-1992
7229695 CIFC7 H5 N OP b c n9.147; 10.64; 25.365
90; 90; 90		2468.6Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A
XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.
Physical chemistry chemical physics : PCCP, 2018, 20, 1984-1992
7229696 CIFC7 H5 N OP b c n9.158; 10.658; 25.383
90; 90; 90		2477.5Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A
XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.
Physical chemistry chemical physics : PCCP, 2018, 20, 1984-1992
7229697 CIFC7 H5 N OP b c n9.116; 10.59; 25.311
90; 90; 90		2443.5Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A
XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.
Physical chemistry chemical physics : PCCP, 2018, 20, 1984-1992
7229698 CIFC7 H5 N OP b c n9.203; 10.737; 25.458
90; 90; 90		2515.6Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A
XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.
Physical chemistry chemical physics : PCCP, 2018, 20, 1984-1992
7229699 CIFC7 H5 N OP b c n9.107; 10.575; 25.296
90; 90; 90		2436.2Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A
XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.
Physical chemistry chemical physics : PCCP, 2018, 20, 1984-1992
7229700 CIFC7 H5 N OP b c n9.136; 10.622; 25.346
90; 90; 90		2459.6Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A
XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.
Physical chemistry chemical physics : PCCP, 2018, 20, 1984-1992
7229701 CIFC7 H5 N OP b c n9.179; 10.697; 25.42
90; 90; 90		2495.9Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A
XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.
Physical chemistry chemical physics : PCCP, 2018, 20, 1984-1992
7229702 CIFC7 H5 N OP b c n9.168; 10.677; 25.402
90; 90; 90		2486.5Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A
XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.
Physical chemistry chemical physics : PCCP, 2018, 20, 1984-1992
7229703 CIFC7 H5 N OP b c n9.191; 10.716; 25.44
90; 90; 90		2505.6Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A
XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.
Physical chemistry chemical physics : PCCP, 2018, 20, 1984-1992
7229705 CIFC48 H44 N2 O4P 1 21/n 19.8398; 18.2197; 10.8932
90; 100.468; 90		1920.41Fuentes Pineda, Rosinda; Troughton, Joel; Planells, Miquel; Sanchez-Molina Santos, Irene; Muhith, Farmin; Nichol, Gary S.; Haque, Saif; Watson, Trystan; Robertson, Neil
Effect of alkyl chain length on the properties of triphenylamine-based hole transport materials and their performance in perovskite solar cells.
Physical chemistry chemical physics : PCCP, 2018, 20, 1252-1260
7229706 CIFC52 H52 N2 O4P 1 21/n 112.051; 10.2594; 17.3214
90; 103.75; 90		2080.18Fuentes Pineda, Rosinda; Troughton, Joel; Planells, Miquel; Sanchez-Molina Santos, Irene; Muhith, Farmin; Nichol, Gary S.; Haque, Saif; Watson, Trystan; Robertson, Neil
Effect of alkyl chain length on the properties of triphenylamine-based hole transport materials and their performance in perovskite solar cells.
Physical chemistry chemical physics : PCCP, 2018, 20, 1252-1260
7229707 CIFC56 H60 N2 O4P 1 21/c 111.82431; 13.11889; 14.97854
90; 93.5009; 90		2319.16Fuentes Pineda, Rosinda; Troughton, Joel; Planells, Miquel; Sanchez-Molina Santos, Irene; Muhith, Farmin; Nichol, Gary S.; Haque, Saif; Watson, Trystan; Robertson, Neil
Effect of alkyl chain length on the properties of triphenylamine-based hole transport materials and their performance in perovskite solar cells.
Physical chemistry chemical physics : PCCP, 2018, 20, 1252-1260
7229708 CIFC52 H52 N2 O4P -112.4603; 14.8711; 24.3863
100.569; 90.6323; 94.7035		4425.55Fuentes Pineda, Rosinda; Troughton, Joel; Planells, Miquel; Sanchez-Molina Santos, Irene; Muhith, Farmin; Nichol, Gary S.; Haque, Saif; Watson, Trystan; Robertson, Neil
Effect of alkyl chain length on the properties of triphenylamine-based hole transport materials and their performance in perovskite solar cells.
Physical chemistry chemical physics : PCCP, 2018, 20, 1252-1260
7229754 CIFC34 H29 N3 O3P 1 21/n 114.0571; 13.268; 15.3305
90; 104.964; 90		2762.32Bhattacharjee, Indranil; Ghosh, Nita; Raina, Abhinav; Dasgupta, Jyotishman; Ray, Debdas
Conformational switching via an intramolecular H-bond modulates the fluorescence lifetime in a novel coumarin-imidazole conjugate.
Physical chemistry chemical physics : PCCP, 2018, 20, 6060-6072
7229755 CIFC34 H29 N3 O2P -19.8322; 11.6973; 12.975
113.245; 93.22; 93.119		1364.18Bhattacharjee, Indranil; Ghosh, Nita; Raina, Abhinav; Dasgupta, Jyotishman; Ray, Debdas
Conformational switching via an intramolecular H-bond modulates the fluorescence lifetime in a novel coumarin-imidazole conjugate.
Physical chemistry chemical physics : PCCP, 2018, 20, 6060-6072
7229765 CIFC34 H24 Eu N9 O9C 1 2/c 112.5871; 15.7676; 17.0644
90; 102.021; 90		3312.48Polzin, P.; V Eliani, I; Ströh, J; Braun, M.; Ruser, N.; Heidenreich, N.; Rönfeldt, P; Bertram, F.; Näther, C; Wöhlbrandt, S; Suta, M.; Terraschke, H.
From ligand exchange to reaction intermediates: what does really happen during the synthesis of emissive complexes?
Physical chemistry chemical physics : PCCP, 2018, 20, 7428-7437
7229847 CIFC32 H32 N2 O4 S4P -14.914; 5.655; 28.95
87.035; 84.31; 85.513		797.3Cappuccino, C.; Mazzeo, P. P.; Salzillo, T.; Venuti, E.; Giunchi, A.; Della Valle, R. G.; Brillante, A.; Bettini, C.; Melucci, M.; Maini, L.
A synergic approach of X-ray powder diffraction and Raman spectroscopy for crystal structure determination of 2,3-thienoimide capped oligothiophenes.
Physical chemistry chemical physics : PCCP, 2018, 20, 3630-3636
7229848 CIFC36 H40 N2 O4 S4P -15.406; 5.135; 32.36
101.877; 91.55; 94.423		875.6Cappuccino, C.; Mazzeo, P. P.; Salzillo, T.; Venuti, E.; Giunchi, A.; Della Valle, R. G.; Brillante, A.; Bettini, C.; Melucci, M.; Maini, L.
A synergic approach of X-ray powder diffraction and Raman spectroscopy for crystal structure determination of 2,3-thienoimide capped oligothiophenes.
Physical chemistry chemical physics : PCCP, 2018, 20, 3630-3636
7229891 CIFC40 H24P 1 21/n 112.6331; 15.3655; 14.1392
90; 95.557; 90		2731.7Singh, Anuja; Pati, Avik Kumar; Mishra, Ashok Kumar
Photophysics and peripheral ring size dependent aggregate emission of cross-conjugated enediynes: applications to white light emission and vapor sensing.
Physical chemistry chemical physics : PCCP, 2018, 20, 4167-4180
7229949 CIFC11 H9 N3 OP 1 21/n 15.7147; 8.3019; 20.1261
90; 94.12; 90		952.37Böhnke, Hendrik; Bahrenburg, Julia; Ma, Xiaonan; Röttger, Katharina; Näther, Christian; Rode, Michał F; Sobolewski, Andrzej L.; Temps, Friedrich
Ultrafast dynamics of the ESIPT photoswitch N-(3-pyridinyl)-2-pyridinecarboxamide.
Physical chemistry chemical physics : PCCP, 2018, 20, 2646-2655
7230005 CIFCo4 H52 K10 O94 V2 W18P 1 21/n 112.3089; 21.3544; 15.6623
90; 92.315; 90		4113.46Liu, Boyang; Glass, Elliot N.; Wang, Ru-Pan; Cui, Yi-Tao; Harada, Yoshihisa; Huang, Di-Jing; Schuppler, Stefan; Hill, Craig L.; de Groot, Frank M. F.
Cobalt-to-vanadium charge transfer in polyoxometalate water oxidation catalysts revealed by 2p3d resonant inelastic X-ray scattering.
Physical chemistry chemical physics : PCCP, 2018, 20, 4554-4562
7230006 CIFCo4 H20 Na10 O108 P2 W18P -111.4798; 13.277; 18.2209
71.135; 73.672; 73.251		2461.78Liu, Boyang; Glass, Elliot N.; Wang, Ru-Pan; Cui, Yi-Tao; Harada, Yoshihisa; Huang, Di-Jing; Schuppler, Stefan; Hill, Craig L.; de Groot, Frank M. F.
Cobalt-to-vanadium charge transfer in polyoxometalate water oxidation catalysts revealed by 2p3d resonant inelastic X-ray scattering.
Physical chemistry chemical physics : PCCP, 2018, 20, 4554-4562
7230040 CIFC7 H4 N2 O2 SeP 1 21/c 17.9873; 7.9532; 12.6983
90; 90.639; 90		806.6Wang, Hui; Liu, Ju; Wang, Weizhou
Intermolecular and very strong intramolecular C-SeO/N chalcogen bonds in nitrophenyl selenocyanate crystals.
Physical chemistry chemical physics : PCCP, 2018, 20, 5227-5234
7230041 CIFC7 H4 N2 O2 SeP 1 21 13.9678; 6.9334; 14.5948
90; 94.469; 90		400.29Wang, Hui; Liu, Ju; Wang, Weizhou
Intermolecular and very strong intramolecular C-SeO/N chalcogen bonds in nitrophenyl selenocyanate crystals.
Physical chemistry chemical physics : PCCP, 2018, 20, 5227-5234
7230042 CIFC7 H4 N2 O2 SeP 1 21 13.9951; 6.9821; 14.3544
90; 91.94; 90		400.17Wang, Hui; Liu, Ju; Wang, Weizhou
Intermolecular and very strong intramolecular C-SeO/N chalcogen bonds in nitrophenyl selenocyanate crystals.
Physical chemistry chemical physics : PCCP, 2018, 20, 5227-5234
7230076 CIFC8 H8R -3 m :H8.1945; 8.1945; 8.0541
90; 90; 120		468.37Ward, Matthew D.; Huang, Haw-Tyng; Zhu, Li; Biswas, Arani; Popov, Dmitry; Badding, John V.; Strobel, Timothy A.
Chemistry through cocrystals: pressure-induced polymerization of C<sub>2</sub>H<sub>2</sub>·C<sub>6</sub>H<sub>6</sub> to an extended crystalline hydrocarbon.
Physical chemistry chemical physics : PCCP, 2018, 20, 7282-7294
7230130 CIFC26 H21 B F2 N2C 1 2/c 113.246; 12.7829; 12.8418
90; 114.67; 90		1975.94Filatov, Mikhail A.; Karuthedath, Safakath; Polestshuk, Pavel M.; Callaghan, Susan; Flanagan, Keith J.; Telitchko, Maxime; Wiesner, Thomas; Laquai, Frédéric; Senge, Mathias O.
Control of triplet state generation in heavy atom-free BODIPY-anthracene dyads by media polarity and structural factors.
Physical chemistry chemical physics : PCCP, 2018, 20, 8016-8031
7230131 CIFC26 H20 B Cl3 F2 N2P 1 2/c 114.2315; 11.3053; 15.4276
90; 93.737; 90		2476.9Filatov, Mikhail A.; Karuthedath, Safakath; Polestshuk, Pavel M.; Callaghan, Susan; Flanagan, Keith J.; Telitchko, Maxime; Wiesner, Thomas; Laquai, Frédéric; Senge, Mathias O.
Control of triplet state generation in heavy atom-free BODIPY-anthracene dyads by media polarity and structural factors.
Physical chemistry chemical physics : PCCP, 2018, 20, 8016-8031
7230132 CIFC63 H58 B2 F4 N4P -18.568; 9.7581; 15.2034
101.961; 91.811; 99.856		1222.2Filatov, Mikhail A.; Karuthedath, Safakath; Polestshuk, Pavel M.; Callaghan, Susan; Flanagan, Keith J.; Telitchko, Maxime; Wiesner, Thomas; Laquai, Frédéric; Senge, Mathias O.
Control of triplet state generation in heavy atom-free BODIPY-anthracene dyads by media polarity and structural factors.
Physical chemistry chemical physics : PCCP, 2018, 20, 8016-8031
7230133 CIFC37 H27 B F2 N2P -110.3605; 13.301; 21.611
76.897; 82.836; 73.801		2779.4Filatov, Mikhail A.; Karuthedath, Safakath; Polestshuk, Pavel M.; Callaghan, Susan; Flanagan, Keith J.; Telitchko, Maxime; Wiesner, Thomas; Laquai, Frédéric; Senge, Mathias O.
Control of triplet state generation in heavy atom-free BODIPY-anthracene dyads by media polarity and structural factors.
Physical chemistry chemical physics : PCCP, 2018, 20, 8016-8031
7230134 CIFC24 H17 B F2 N2P 1 21/n 114.2177; 13.2738; 19.7784
90; 95.067; 90		3718.1Filatov, Mikhail A.; Karuthedath, Safakath; Polestshuk, Pavel M.; Callaghan, Susan; Flanagan, Keith J.; Telitchko, Maxime; Wiesner, Thomas; Laquai, Frédéric; Senge, Mathias O.
Control of triplet state generation in heavy atom-free BODIPY-anthracene dyads by media polarity and structural factors.
Physical chemistry chemical physics : PCCP, 2018, 20, 8016-8031
7230135 CIFC31 H23 B F2 N2P -18.9484; 9.6443; 17.849
87.62; 77.07; 68.24		1392.9Filatov, Mikhail A.; Karuthedath, Safakath; Polestshuk, Pavel M.; Callaghan, Susan; Flanagan, Keith J.; Telitchko, Maxime; Wiesner, Thomas; Laquai, Frédéric; Senge, Mathias O.
Control of triplet state generation in heavy atom-free BODIPY-anthracene dyads by media polarity and structural factors.
Physical chemistry chemical physics : PCCP, 2018, 20, 8016-8031
7230136 CIFC32 H33 B F2 N2P 1 21/c 115.836; 20.573; 7.781
90; 101.878; 90		2480.7Filatov, Mikhail A.; Karuthedath, Safakath; Polestshuk, Pavel M.; Callaghan, Susan; Flanagan, Keith J.; Telitchko, Maxime; Wiesner, Thomas; Laquai, Frédéric; Senge, Mathias O.
Control of triplet state generation in heavy atom-free BODIPY-anthracene dyads by media polarity and structural factors.
Physical chemistry chemical physics : PCCP, 2018, 20, 8016-8031
7230191 CIFC6 H2 Br4P 1 21/n 14.0055; 10.6493; 10.2948
90; 100.172; 90		432.23Zakharov, Boris A.; Michalchuk, Adam A. L.; Morrison, Carole A.; Boldyreva, Elena V.
Anisotropic lattice softening near the structural phase transition in the thermosalient crystal 1,2,4,5-tetrabromobenzene.
Physical chemistry chemical physics : PCCP, 2018, 20, 8523-8532
7230192 CIFC6 H2 Br4P 1 21/n 14.0549; 11.078; 9.8719
90; 100.585; 90		435.9Zakharov, Boris A.; Michalchuk, Adam A. L.; Morrison, Carole A.; Boldyreva, Elena V.
Anisotropic lattice softening near the structural phase transition in the thermosalient crystal 1,2,4,5-tetrabromobenzene.
Physical chemistry chemical physics : PCCP, 2018, 20, 8523-8532
7230193 CIFC6 H2 Br4P 1 21/n 14.0172; 10.6917; 10.2615
90; 100.175; 90		433.81Zakharov, Boris A.; Michalchuk, Adam A. L.; Morrison, Carole A.; Boldyreva, Elena V.
Anisotropic lattice softening near the structural phase transition in the thermosalient crystal 1,2,4,5-tetrabromobenzene.
Physical chemistry chemical physics : PCCP, 2018, 20, 8523-8532
7230194 CIFC6 H2 Br4P 1 21/n 14.0686; 11.1298; 9.8431
90; 100.64; 90		438.06Zakharov, Boris A.; Michalchuk, Adam A. L.; Morrison, Carole A.; Boldyreva, Elena V.
Anisotropic lattice softening near the structural phase transition in the thermosalient crystal 1,2,4,5-tetrabromobenzene.
Physical chemistry chemical physics : PCCP, 2018, 20, 8523-8532
7230195 CIFC6 H2 Br4P 1 21/n 14.0233; 10.7193; 10.2355
90; 100.184; 90		434.47Zakharov, Boris A.; Michalchuk, Adam A. L.; Morrison, Carole A.; Boldyreva, Elena V.
Anisotropic lattice softening near the structural phase transition in the thermosalient crystal 1,2,4,5-tetrabromobenzene.
Physical chemistry chemical physics : PCCP, 2018, 20, 8523-8532
7230196 CIFC6 H2 Br4P 1 21/n 14.0618; 11.1039; 9.8533
90; 100.618; 90		436.79Zakharov, Boris A.; Michalchuk, Adam A. L.; Morrison, Carole A.; Boldyreva, Elena V.
Anisotropic lattice softening near the structural phase transition in the thermosalient crystal 1,2,4,5-tetrabromobenzene.
Physical chemistry chemical physics : PCCP, 2018, 20, 8523-8532
7230197 CIFC6 H2 Br4P 1 21/n 14.0723; 11.1474; 9.8296
90; 100.671; 90		438.5Zakharov, Boris A.; Michalchuk, Adam A. L.; Morrison, Carole A.; Boldyreva, Elena V.
Anisotropic lattice softening near the structural phase transition in the thermosalient crystal 1,2,4,5-tetrabromobenzene.
Physical chemistry chemical physics : PCCP, 2018, 20, 8523-8532
7230198 CIFC6 H2 Br4P 1 21/n 14.0108; 10.6672; 10.2811
90; 100.168; 90		432.96Zakharov, Boris A.; Michalchuk, Adam A. L.; Morrison, Carole A.; Boldyreva, Elena V.
Anisotropic lattice softening near the structural phase transition in the thermosalient crystal 1,2,4,5-tetrabromobenzene.
Physical chemistry chemical physics : PCCP, 2018, 20, 8523-8532
7230343 CIFC23 H13 Br OP 1 21/c 19.7948; 21.5595; 7.9044
90; 104.573; 90		1615.48Zhang, Yingying; He, Bairong; Liu, Junkai; Hu, Shimin; Pan, Lingxiang; Zhao, Zujin; Tang, Ben Zhong
Aggregation-induced emission and the working mechanism of 1-benzoyl and 1-benzyl pyrene derivatives.
Physical chemistry chemical physics : PCCP, 2018, 20, 9922-9929
7230344 CIFC23 H13 I OP 1 21/c 19.8713; 21.9189; 8.0295
90; 105.165; 90		1676.83Zhang, Yingying; He, Bairong; Liu, Junkai; Hu, Shimin; Pan, Lingxiang; Zhao, Zujin; Tang, Ben Zhong
Aggregation-induced emission and the working mechanism of 1-benzoyl and 1-benzyl pyrene derivatives.
Physical chemistry chemical physics : PCCP, 2018, 20, 9922-9929
7230345 CIFC23 H13 Br OP -17.905; 9.5802; 10.62
94.977; 101.008; 93.532		783.98Zhang, Yingying; He, Bairong; Liu, Junkai; Hu, Shimin; Pan, Lingxiang; Zhao, Zujin; Tang, Ben Zhong
Aggregation-induced emission and the working mechanism of 1-benzoyl and 1-benzyl pyrene derivatives.
Physical chemistry chemical physics : PCCP, 2018, 20, 9922-9929
7230346 CIFC23 H9 F5 OP 21 21 217.9511; 8.4125; 24.0545
90; 90; 90		1609Zhang, Yingying; He, Bairong; Liu, Junkai; Hu, Shimin; Pan, Lingxiang; Zhao, Zujin; Tang, Ben Zhong
Aggregation-induced emission and the working mechanism of 1-benzoyl and 1-benzyl pyrene derivatives.
Physical chemistry chemical physics : PCCP, 2018, 20, 9922-9929
7230347 CIFC29 H18 OP 21 21 215.2858; 8.206; 42.862
90; 90; 90		1859.2Zhang, Yingying; He, Bairong; Liu, Junkai; Hu, Shimin; Pan, Lingxiang; Zhao, Zujin; Tang, Ben Zhong
Aggregation-induced emission and the working mechanism of 1-benzoyl and 1-benzyl pyrene derivatives.
Physical chemistry chemical physics : PCCP, 2018, 20, 9922-9929
7230348 CIFC23 H14 OP -18.6959; 8.9304; 11.2041
69.755; 80.944; 69.789		765.36Zhang, Yingying; He, Bairong; Liu, Junkai; Hu, Shimin; Pan, Lingxiang; Zhao, Zujin; Tang, Ben Zhong
Aggregation-induced emission and the working mechanism of 1-benzoyl and 1-benzyl pyrene derivatives.
Physical chemistry chemical physics : PCCP, 2018, 20, 9922-9929
7230381 CIFC26 H24 Cl Fe2 N4 Ni0.5C 1 2/c 123.97; 10.6828; 19.264
90; 111.342; 90		4594.6Peck, M. A.; Hearne, G. R.; Obuah, C.; Darkwa, J.
Electron-density distributions in selected ferrocenyl-pyrazolyl late transition-metal complexes.
Physical chemistry chemical physics : PCCP, 2018, 20, 11682-11691
7230391 CIFC40 H35 Cl4 N4 O3I 1 2/a 116.901; 9.2057; 47.963
90; 91.149; 90		7461Giannoulis, A.; Ackermann, K.; Spindler, P. E.; Higgins, C.; Cordes, D. B.; Slawin, A. M. Z.; Prisner, T. F.; Bode, B. E.
Nitroxide-nitroxide and nitroxide-metal distance measurements in transition metal complexes with two or three paramagnetic centres give access to thermodynamic and kinetic stabilities.
Physical chemistry chemical physics : PCCP, 2018, 20, 11196-11205
7230392 CIFC15 H17 I N O3P -19.0407; 9.359; 10.191
105.821; 94.648; 105.915		786.4Giannoulis, A.; Ackermann, K.; Spindler, P. E.; Higgins, C.; Cordes, D. B.; Slawin, A. M. Z.; Prisner, T. F.; Bode, B. E.
Nitroxide-nitroxide and nitroxide-metal distance measurements in transition metal complexes with two or three paramagnetic centres give access to thermodynamic and kinetic stabilities.
Physical chemistry chemical physics : PCCP, 2018, 20, 11196-11205
7230466 CIFC125 H53 Dy N5 Ni Sc2C 1 2/c 125.19; 15.05; 39.49
90; 95.46; 90		14903Krylov, D. S.; Liu, F.; Brandenburg, A.; Spree, L.; Bon, V.; Kaskel, S.; Wolter, A. U. B.; Büchner, B; Avdoshenko, S. M.; Popov, A. A.
Magnetization relaxation in the single-ion magnet DySc<sub>2</sub>N@C<sub>80</sub>: quantum tunneling, magnetic dilution, and unconventional temperature dependence.
Physical chemistry chemical physics : PCCP, 2018, 20, 11656-11672
7230467 CIFC129.29 H58.28 Dy N5 Ni Sc2P -114.57; 14.68; 20.28
83.73; 84.16; 60.6		3750.6Krylov, D. S.; Liu, F.; Brandenburg, A.; Spree, L.; Bon, V.; Kaskel, S.; Wolter, A. U. B.; Büchner, B; Avdoshenko, S. M.; Popov, A. A.
Magnetization relaxation in the single-ion magnet DySc<sub>2</sub>N@C<sub>80</sub>: quantum tunneling, magnetic dilution, and unconventional temperature dependence.
Physical chemistry chemical physics : PCCP, 2018, 20, 11656-11672
7230483 CIFC36 H32 N2P b c n38.7879; 8.0972; 8.3462
90; 90; 90		2621.32Wright, Iain A.; Al-Attar, Hameed A; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R.
Conformationally-restricted bicarbazoles with phenylene bridges displaying deep-blue emission and high triplet energies: systematic structure-property relationships.
Physical chemistry chemical physics : PCCP, 2018, 20, 11867-11875
7230484 CIFC36 H26 N4P -19.3712; 12.2475; 12.7385
92.853; 102.427; 111.744		1312.62Wright, Iain A.; Al-Attar, Hameed A; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R.
Conformationally-restricted bicarbazoles with phenylene bridges displaying deep-blue emission and high triplet energies: systematic structure-property relationships.
Physical chemistry chemical physics : PCCP, 2018, 20, 11867-11875
7230569 CIFC24 H53 Br3 Cu N2 O2P 1 21/n 17.5437; 44.0092; 9.3422
90; 91.326; 90		3100.7Zhiltsova, Elena P.; Pashirova, Tatiana N.; Ibatullina, Marina R.; Lukashenko, Svetlana S.; Gubaidullin, Aidar T.; Islamov, Daut R.; Kataeva, Olga N.; Kutyreva, Marianna P.; Zakharova, Lucia Y.
A new surfactant-copper(ii) complex based on 1,4-diazabicyclo[2.2.2]octane amphiphile. Crystal structure determination, self-assembly and functional activity.
Physical chemistry chemical physics : PCCP, 2018, 20, 12688-12699
7230583 CIFC31 H29 NP 21 21 219.5324; 14.9752; 16.6507
90; 90; 90		2376.9Liu, Xuedan; Li, Aisen; Xu, Weiqing; Ma, Zhiyong; Jia, Xinru
Pressure-induced emission band separation of the hybridized local and charge transfer excited state in a TPE-based crystal.
Physical chemistry chemical physics : PCCP, 2018, 20, 13249-13254
7230596 CIFC18 H20 Cl N3 O7 SP -19.6276; 10.1883; 11.0539
90.533; 100.803; 105.94		1021.97Surov, Artem O.; Churakov, Andrei V.; Proshin, Alexey N.; Dai, Xia-Lin; Lu, Tongbu; Perlovich, German L.
Cocrystals of a 1,2,4-thiadiazole-based potent neuroprotector with gallic acid: solubility, thermodynamic stability relationships and formation pathways.
Physical chemistry chemical physics : PCCP, 2018, 20, 14469-14481
7230632 CIFC19 H24 N2 O2P 1 21/n 16.7785; 9.8025; 25.4462
90; 94.7017; 90		1685.11Orita, Ryoji; Franckevičius, Marius; Vyšniauskas, Aurimas; Gulbinas, Vidmantas; Sugiyama, Haruki; Uekusa, Hidehiro; Kanosue, Kenta; Ishige, Ryohei; Ando, Shinji
Enhanced fluorescence of phthalimide compounds induced by the incorporation of electron-donating alicyclic amino groups.
Physical chemistry chemical physics : PCCP, 2018, 20, 16033-16044
7230633 CIFC18 H22 N2 O2P 1 21/c 15.1353; 10.3387; 29.0552
90; 92.523; 90		1541.11Orita, Ryoji; Franckevičius, Marius; Vyšniauskas, Aurimas; Gulbinas, Vidmantas; Sugiyama, Haruki; Uekusa, Hidehiro; Kanosue, Kenta; Ishige, Ryohei; Ando, Shinji
Enhanced fluorescence of phthalimide compounds induced by the incorporation of electron-donating alicyclic amino groups.
Physical chemistry chemical physics : PCCP, 2018, 20, 16033-16044
7230634 CIFC19 H24 N2 O2P -15.26649; 10.6373; 15.2944
72.6185; 89.9112; 83.0728		811.18Orita, Ryoji; Franckevičius, Marius; Vyšniauskas, Aurimas; Gulbinas, Vidmantas; Sugiyama, Haruki; Uekusa, Hidehiro; Kanosue, Kenta; Ishige, Ryohei; Ando, Shinji
Enhanced fluorescence of phthalimide compounds induced by the incorporation of electron-donating alicyclic amino groups.
Physical chemistry chemical physics : PCCP, 2018, 20, 16033-16044
7230635 CIFC18 H22 N2 O2P 1 21/c 110.7455; 26.6113; 10.8489
90; 99.08; 90		3063.4Orita, Ryoji; Franckevičius, Marius; Vyšniauskas, Aurimas; Gulbinas, Vidmantas; Sugiyama, Haruki; Uekusa, Hidehiro; Kanosue, Kenta; Ishige, Ryohei; Ando, Shinji
Enhanced fluorescence of phthalimide compounds induced by the incorporation of electron-donating alicyclic amino groups.
Physical chemistry chemical physics : PCCP, 2018, 20, 16033-16044
7230818 CIFC14 H13 F N2 O SP b c a9.54533; 14.9685; 17.9615
90; 90; 90		2566.33Hughes, Eleri; Griffin, John M.; Coogan, Michael P.; Middleton, David A.
Average orientation of a fluoroaromatic molecule in lipid bilayers from DFT-informed NMR measurements of <sup>1</sup>H-<sup>19</sup>F dipolar couplings.
Physical chemistry chemical physics : PCCP, 2018, 20, 18207-18215
7230848 CIFC42 H51 N3P -18.411; 15.202; 26.348
86.9; 89.438; 84.427		3348Reig, Marta; Bagdziunas, Gintautas; Ramanavicius, Arunas; Puigdollers, Joaquim; Velasco, Dolores
Interface engineering and solid-state organization for triindole-based p-type organic thin-film transistors.
Physical chemistry chemical physics : PCCP, 2018, 20, 17889-17898
7230888 CIFC36 H43 Cu3 N7 O8P -111.417; 12.317; 15.889
73.446; 79.252; 65.891		1948.6Mathivathanan, Logesh; Boudalis, Athanassios K.; Turek, Philippe; Pissas, Michael; Sanakis, Yiannis; Raptis, Raphael G.
Interactions between H-bonded [Cu(μ<sub>3</sub>-OH)] triangles; a combined magnetic susceptibility and EPR study.
Physical chemistry chemical physics : PCCP, 2018, 20, 17234-17244
7230907 CIFC23 H14 OP -18.0024; 9.6519; 10.0837
102.814; 96.576; 91.473		753.4Rajagopal, Shinaj K.; K, Nagaraj; Deb, Somadrita; Bhat, Vinayak; Sasikumar, Devika; Sebastian, Ebin; Hariharan, Mahesh
Extending the scope of the carbonyl facilitated triplet excited state towards visible light excitation.
Physical chemistry chemical physics : PCCP, 2018, 20, 19120-19128
7230908 CIFC21 H14 OP 1 21 18.3434; 6.0678; 14.7523
90; 103.178; 90		727.18Rajagopal, Shinaj K.; K, Nagaraj; Deb, Somadrita; Bhat, Vinayak; Sasikumar, Devika; Sebastian, Ebin; Hariharan, Mahesh
Extending the scope of the carbonyl facilitated triplet excited state towards visible light excitation.
Physical chemistry chemical physics : PCCP, 2018, 20, 19120-19128
7230909 CIFC17 H12 OP 21 21 216.215; 12.803; 15.398
90; 90; 90		1225.2Rajagopal, Shinaj K.; K, Nagaraj; Deb, Somadrita; Bhat, Vinayak; Sasikumar, Devika; Sebastian, Ebin; Hariharan, Mahesh
Extending the scope of the carbonyl facilitated triplet excited state towards visible light excitation.
Physical chemistry chemical physics : PCCP, 2018, 20, 19120-19128
7230910 CIFC29 H18 OP 1 21/c 16.635; 15.315; 19.049
90; 98.654; 90		1913.6Rajagopal, Shinaj K.; K, Nagaraj; Deb, Somadrita; Bhat, Vinayak; Sasikumar, Devika; Sebastian, Ebin; Hariharan, Mahesh
Extending the scope of the carbonyl facilitated triplet excited state towards visible light excitation.
Physical chemistry chemical physics : PCCP, 2018, 20, 19120-19128
7230911 CIFC25 H16 OP c a 2125.998; 8.5054; 7.748
90; 90; 90		1713.3Rajagopal, Shinaj K.; K, Nagaraj; Deb, Somadrita; Bhat, Vinayak; Sasikumar, Devika; Sebastian, Ebin; Hariharan, Mahesh
Extending the scope of the carbonyl facilitated triplet excited state towards visible light excitation.
Physical chemistry chemical physics : PCCP, 2018, 20, 19120-19128
7230912 CIFC21 H14 OP 1 21/n 114.081; 7.291; 15.214
90; 106.982; 90		1493.8Rajagopal, Shinaj K.; K, Nagaraj; Deb, Somadrita; Bhat, Vinayak; Sasikumar, Devika; Sebastian, Ebin; Hariharan, Mahesh
Extending the scope of the carbonyl facilitated triplet excited state towards visible light excitation.
Physical chemistry chemical physics : PCCP, 2018, 20, 19120-19128
7231074 CIFC128 H168 N15 O17 P SC 1 2/c 128.4389; 15.9129; 56.0834
90; 91.1396; 90		25375.3Marques, Igor; Costa, Pedro M. R.; Q Miranda, Margarida; Busschaert, Nathalie; Howe, Ethan N. W.; Clarke, Harriet J.; Haynes, Cally J. E.; Kirby, Isabelle L.; Rodilla, Ananda M.; Pérez-Tomás, Ricardo; Gale, Philip A.; Félix, Vítor
Full elucidation of the transmembrane anion transport mechanism of squaramides using in silico investigations.
Physical chemistry chemical physics : PCCP, 2018, 20, 20796-20811
7231075 CIFC30 H30 N4 O6 S2P -19.638; 10.144; 15.997
102.159; 95.626; 101.283		1483.5Marques, Igor; Costa, Pedro M. R.; Q Miranda, Margarida; Busschaert, Nathalie; Howe, Ethan N. W.; Clarke, Harriet J.; Haynes, Cally J. E.; Kirby, Isabelle L.; Rodilla, Ananda M.; Pérez-Tomás, Ricardo; Gale, Philip A.; Félix, Vítor
Full elucidation of the transmembrane anion transport mechanism of squaramides using in silico investigations.
Physical chemistry chemical physics : PCCP, 2018, 20, 20796-20811
7231076 CIFC39 H24 Cl2 F16 Ir N6 PP -111.9028; 12.4757; 14.8516
84.354; 77.044; 75.399		2077.79Soulsby, Lachlan C.; Hayne, David J.; Doeven, Egan H.; Wilson, David J. D.; Agugiaro, Johnny; Connell, Timothy U.; Chen, Lifen; Hogan, Conor F.; Kerr, Emily; Adcock, Jacqui L.; Donnelly, Paul S.; White, Jonathan M.; Francis, Paul S.
Mixed annihilation electrogenerated chemiluminescence of iridium(iii) complexes.
Physical chemistry chemical physics : PCCP, 2018, 20, 18995-19006
7231317 CIFC13 H29 Br I3 NP 1 n 18.7748; 8.9163; 13.3043
90; 98.065; 90		1030.62Watson, Brandon; Grounds, Olivia; Borley, William; Rosokha, Sergiy V.
Resolving the halogen vs. hydrogen bonding dichotomy in solutions: intermolecular complexes of trihalomethanes with halide and pseudohalide anions.
Physical chemistry chemical physics : PCCP, 2018, 20, 21999-22007
7231318 CIFC13 H29 Cl I3 NP 1 n 18.7174; 8.8068; 13.2169
90; 97.763; 90		1005.39Watson, Brandon; Grounds, Olivia; Borley, William; Rosokha, Sergiy V.
Resolving the halogen vs. hydrogen bonding dichotomy in solutions: intermolecular complexes of trihalomethanes with halide and pseudohalide anions.
Physical chemistry chemical physics : PCCP, 2018, 20, 21999-22007
7231319 CIFC17 H37 I4 NP b c a15.9191; 17.5775; 17.8152
90; 90; 90		4985Watson, Brandon; Grounds, Olivia; Borley, William; Rosokha, Sergiy V.
Resolving the halogen vs. hydrogen bonding dichotomy in solutions: intermolecular complexes of trihalomethanes with halide and pseudohalide anions.
Physical chemistry chemical physics : PCCP, 2018, 20, 21999-22007
7231349 CIFC14 H12 N2 O2P 1 21/n 18.5166; 6.3092; 11.828
90; 107.898; 90		604.8Dixit, Manish Kumar; Dubey, Mrigendra
Li<sup>+</sup>-Induced fluorescent metallogel: a case of ESIPT-CHEF and ICT phenomenon.
Physical chemistry chemical physics : PCCP, 2018, 20, 23762-23772
7231350 CIFC9 H5 I N2 O2P -17.6101; 8.0298; 8.5371
81.12; 65.955; 73.612		456.6Vinueza, Nelson R.; Jankiewicz, Bartłomiej J; Gallardo, Vanessa A.; Nash, John J.; Kenttämaa, Hilkka I
Effects of hydrogen bonding on the gas-phase reactivity of didehydroisoquinolinium cation isomers.
Physical chemistry chemical physics : PCCP, 2018, 20, 21567-21572
7231364 CIFC6 H14 Cr N2 Na O12R -3 :H7.9386; 7.9386; 21.494
90; 90; 120		1173.1Ptak, Maciej; Stefańska, Dagmara; Gągor, Anna; Svane, Katrine L.; Walsh, Aron; Paraguassu, Waldeci
Heterometallic perovskite-type metal-organic framework with an ammonium cation: structure, phonons, and optical response of [NH<sub>4</sub>]Na<sub>0.5</sub>Cr<sub>x</sub>Al<sub>0.5-x</sub>(HCOO)<sub>3</sub> (x = 0, 0.025 and 0.5).
Physical chemistry chemical physics : PCCP, 2018, 20, 22284-22295
7231402 CIFC3 H7 Mn N O6P 63 2 27.3678; 7.3678; 8.4912
90; 90; 120		399.19Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Pressure dependence of spin canting in ammonium metal formate antiferromagnets.
Physical chemistry chemical physics : PCCP, 2018, 20, 24465-24476
7231403 CIFC3 H7 Mn N O6P 63 2 27.32804; 7.32804; 8.4964
90; 90; 120		395.131Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Pressure dependence of spin canting in ammonium metal formate antiferromagnets.
Physical chemistry chemical physics : PCCP, 2018, 20, 24465-24476
7231404 CIFC3 H7 Mn N O6P 63 2 27.33778; 7.33778; 8.4822
90; 90; 120		395.52Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Pressure dependence of spin canting in ammonium metal formate antiferromagnets.
Physical chemistry chemical physics : PCCP, 2018, 20, 24465-24476
7231405 CIFC6 H14 Mn2 N2 O12P 1 21 16.714; 7.119; 14.031
90; 89.99; 90		670.6Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Pressure dependence of spin canting in ammonium metal formate antiferromagnets.
Physical chemistry chemical physics : PCCP, 2018, 20, 24465-24476
7231406 CIFC3 H7 Mn N O6P 1 21 16.64; 8.4889; 7.422
90; 116.45; 90		374.6Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Pressure dependence of spin canting in ammonium metal formate antiferromagnets.
Physical chemistry chemical physics : PCCP, 2018, 20, 24465-24476
7231407 CIFC6 H14 Mn2 N2 O12P 1 21 16.68; 7.097; 13.944
90; 89.98; 90		661.1Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Pressure dependence of spin canting in ammonium metal formate antiferromagnets.
Physical chemistry chemical physics : PCCP, 2018, 20, 24465-24476
7231408 CIFC3 H7 Mn N O6P 1 21 16.443; 8.496; 7.372
90; 115.64; 90		363.8Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Pressure dependence of spin canting in ammonium metal formate antiferromagnets.
Physical chemistry chemical physics : PCCP, 2018, 20, 24465-24476
7231409 CIFC3 H7 N Ni O6P 1 21 16.47; 8.0553; 7.263
90; 116.33; 90		339.26Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Pressure dependence of spin canting in ammonium metal formate antiferromagnets.
Physical chemistry chemical physics : PCCP, 2018, 20, 24465-24476
7231410 CIFC3 H7 N Ni O6P 1 21 16.607; 8.0559; 7.27
90; 116.96; 90		344.9Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Pressure dependence of spin canting in ammonium metal formate antiferromagnets.
Physical chemistry chemical physics : PCCP, 2018, 20, 24465-24476
7231411 CIFC3 H7 N Ni O6P 1 21 16.426; 8.0477; 7.255
90; 116.12; 90		336.9Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Pressure dependence of spin canting in ammonium metal formate antiferromagnets.
Physical chemistry chemical physics : PCCP, 2018, 20, 24465-24476
7231412 CIFC3 H7 Mn N O6P 1 21 16.537; 8.4865; 7.405
90; 116.09; 90		368.9Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Pressure dependence of spin canting in ammonium metal formate antiferromagnets.
Physical chemistry chemical physics : PCCP, 2018, 20, 24465-24476
7231413 CIFC3 H7 Fe N O6P 63 2 27.3163; 7.3163; 8.31849
90; 90; 120		385.619Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Pressure dependence of spin canting in ammonium metal formate antiferromagnets.
Physical chemistry chemical physics : PCCP, 2018, 20, 24465-24476
7231414 CIFC6 H14 Mn2 N2 O12P 1 21 16.651; 7.067; 13.839
90; 89.96; 90		650.5Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Pressure dependence of spin canting in ammonium metal formate antiferromagnets.
Physical chemistry chemical physics : PCCP, 2018, 20, 24465-24476
7231415 CIFC3 H7 N Ni O6P 63 2 27.1831; 7.1831; 8.0511
90; 90; 120		359.757Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Pressure dependence of spin canting in ammonium metal formate antiferromagnets.
Physical chemistry chemical physics : PCCP, 2018, 20, 24465-24476
7231416 CIFC3 H7 Fe N O6P 63 2 27.3249; 7.3249; 8.3197
90; 90; 120		386.58Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Pressure dependence of spin canting in ammonium metal formate antiferromagnets.
Physical chemistry chemical physics : PCCP, 2018, 20, 24465-24476
7231417 CIFC3 H7 N Ni O6P 63 2 27.1272; 7.1272; 8.0615
90; 90; 120		354.64Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Pressure dependence of spin canting in ammonium metal formate antiferromagnets.
Physical chemistry chemical physics : PCCP, 2018, 20, 24465-24476
7231418 CIFC3 H7 N Ni O6P 63 2 27.24917; 7.24917; 8.04612
90; 90; 120		366.179Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Pressure dependence of spin canting in ammonium metal formate antiferromagnets.
Physical chemistry chemical physics : PCCP, 2018, 20, 24465-24476
7231419 CIFC3 H7 Fe N O6P 63 2 27.28439; 7.28439; 8.3359
90; 90; 120		383.062Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Pressure dependence of spin canting in ammonium metal formate antiferromagnets.
Physical chemistry chemical physics : PCCP, 2018, 20, 24465-24476
7231420 CIFC3 H7 N Ni O6P 63 2 27.2211; 7.2211; 8.049
90; 90; 120		363.48Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Pressure dependence of spin canting in ammonium metal formate antiferromagnets.
Physical chemistry chemical physics : PCCP, 2018, 20, 24465-24476
7231421 CIFC3 H7 Fe N O6P 63 2 27.3044; 7.3044; 8.31833
90; 90; 120		384.358Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Pressure dependence of spin canting in ammonium metal formate antiferromagnets.
Physical chemistry chemical physics : PCCP, 2018, 20, 24465-24476
7231422 CIFC3 H7 Fe N O6P 1 21 16.8121; 8.3238; 7.3916
90; 117.39; 90		372.14Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Pressure dependence of spin canting in ammonium metal formate antiferromagnets.
Physical chemistry chemical physics : PCCP, 2018, 20, 24465-24476
7231423 CIFC6 H14 Fe2 N2 O12P 1 21 16.589; 7.004; 13.771
90; 90; 90		635.5Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Pressure dependence of spin canting in ammonium metal formate antiferromagnets.
Physical chemistry chemical physics : PCCP, 2018, 20, 24465-24476
7231424 CIFC3 H7 N Ni O6P 63 2 27.2789; 7.2789; 8.0555
90; 90; 120		369.619Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Pressure dependence of spin canting in ammonium metal formate antiferromagnets.
Physical chemistry chemical physics : PCCP, 2018, 20, 24465-24476
7231425 CIFC3 H7 Mn N O6P 1 21 16.741; 8.486; 7.44
90; 116.87; 90		379.6Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Pressure dependence of spin canting in ammonium metal formate antiferromagnets.
Physical chemistry chemical physics : PCCP, 2018, 20, 24465-24476
7231426 CIFC3 H7 Fe N O6P 63 2 27.29055; 7.29055; 8.32778
90; 90; 120		383.337Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Pressure dependence of spin canting in ammonium metal formate antiferromagnets.
Physical chemistry chemical physics : PCCP, 2018, 20, 24465-24476
7231427 CIFC3 H7 N Ni O6P 63 2 27.15551; 7.15551; 8.05112
90; 90; 120		357Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Pressure dependence of spin canting in ammonium metal formate antiferromagnets.
Physical chemistry chemical physics : PCCP, 2018, 20, 24465-24476
7231428 CIFC6 H14 Fe2 N2 O12P 1 21 16.599; 6.957; 13.695
90; 90.19; 90		628.7Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Pressure dependence of spin canting in ammonium metal formate antiferromagnets.
Physical chemistry chemical physics : PCCP, 2018, 20, 24465-24476
7231429 CIFC6 H14 Fe2 N2 O12P 1 21 16.558; 6.9977; 13.697
90; 90.05; 90		628.6Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Pressure dependence of spin canting in ammonium metal formate antiferromagnets.
Physical chemistry chemical physics : PCCP, 2018, 20, 24465-24476
7231430 CIFC3 H7 Mn N O6P 63 2 27.2974; 7.2974; 8.485
90; 90; 120		391.31Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Pressure dependence of spin canting in ammonium metal formate antiferromagnets.
Physical chemistry chemical physics : PCCP, 2018, 20, 24465-24476
7231431 CIFC3 H7 N Ni O6P 63 2 27.28362; 7.28362; 8.04848
90; 90; 120		369.776Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Pressure dependence of spin canting in ammonium metal formate antiferromagnets.
Physical chemistry chemical physics : PCCP, 2018, 20, 24465-24476
7231432 CIFC3 H7 N Ni O6P 1 21 16.373; 8.036; 7.247
90; 115.83; 90		334.1Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Pressure dependence of spin canting in ammonium metal formate antiferromagnets.
Physical chemistry chemical physics : PCCP, 2018, 20, 24465-24476
7231447 CIFC19 H19 N4 O SiC 1 m 19.6565; 17.991; 5.8635
90; 113.819; 90		931.9Eusterwiemann, Steffen; Doerenkamp, Carsten; Dresselhaus, Thomas; Janka, Oliver; Daniliuc, Constantin G.; Pöttgen, Rainer; Studer, Armido; Eckert, Hellmut; Neugebauer, Johannes
Ferro- or antiferromagnetism? Heisenberg chains in the crystal structures of verdazyl radicals.
Physical chemistry chemical physics : PCCP, 2018, 20, 22902-22908
7231448 CIFC16 H11 N4 OP n a 2117.0182; 20.5047; 3.8678
90; 90; 90		1349.68Eusterwiemann, Steffen; Doerenkamp, Carsten; Dresselhaus, Thomas; Janka, Oliver; Daniliuc, Constantin G.; Pöttgen, Rainer; Studer, Armido; Eckert, Hellmut; Neugebauer, Johannes
Ferro- or antiferromagnetism? Heisenberg chains in the crystal structures of verdazyl radicals.
Physical chemistry chemical physics : PCCP, 2018, 20, 22902-22908
7231449 CIFC18 H11 N4 OC 1 m 111.27; 16.9544; 3.7589
90; 96.64; 90		713.42Eusterwiemann, Steffen; Doerenkamp, Carsten; Dresselhaus, Thomas; Janka, Oliver; Daniliuc, Constantin G.; Pöttgen, Rainer; Studer, Armido; Eckert, Hellmut; Neugebauer, Johannes
Ferro- or antiferromagnetism? Heisenberg chains in the crystal structures of verdazyl radicals.
Physical chemistry chemical physics : PCCP, 2018, 20, 22902-22908
7231450 CIFC21 H19 N4 O SiP 1 21/m 15.9346; 16.9487; 10.0933
90; 99.999; 90		999.8Eusterwiemann, Steffen; Doerenkamp, Carsten; Dresselhaus, Thomas; Janka, Oliver; Daniliuc, Constantin G.; Pöttgen, Rainer; Studer, Armido; Eckert, Hellmut; Neugebauer, Johannes
Ferro- or antiferromagnetism? Heisenberg chains in the crystal structures of verdazyl radicals.
Physical chemistry chemical physics : PCCP, 2018, 20, 22902-22908
7231451 CIFC30 H32 N4 O3P -111.085; 12.074; 20.89
93.358; 90.469; 104.074		2706.6Wu, Jieyun; Wang, Wen; Wang, Nan; He, Juan; Deng, Guowei; Li, Zhonghui; Zhang, Xiaoling; Xiao, Hongyan; Chen, Kaixin
Structure-property analysis of julolidine-based nonlinear optical chromophores for the optimization of microscopic and macroscopic nonlinearity.
Physical chemistry chemical physics : PCCP, 2018, 20, 23606-23615
7231471 CIFC6 H4 N2 O4P 1 21/n 15.6628; 5.3723; 10.9143
90; 92.021; 90		331.831Escudero-Adán, Eduardo C; Bauzá, Antonio; Lecomte, Claude; Frontera, Antonio; Ballester, Pablo
Boron triel bonding: a weak electrostatic interaction lacking electron-density descriptors.
Physical chemistry chemical physics : PCCP, 2018, 20, 24192-24200
7231472 CIFC5 H7 B Cl N O2P 1 c 16.2062; 5.25334; 11.18373
90; 105.503; 90		351.359Escudero-Adán, Eduardo C; Bauzá, Antonio; Lecomte, Claude; Frontera, Antonio; Ballester, Pablo
Boron triel bonding: a weak electrostatic interaction lacking electron-density descriptors.
Physical chemistry chemical physics : PCCP, 2018, 20, 24192-24200
7231473 CIFC14 H14 N2 O8P 21 21 214.544; 15.2652; 20.3342
90; 90; 90		1410.48Escudero-Adán, Eduardo C; Bauzá, Antonio; Lecomte, Claude; Frontera, Antonio; Ballester, Pablo
Boron triel bonding: a weak electrostatic interaction lacking electron-density descriptors.
Physical chemistry chemical physics : PCCP, 2018, 20, 24192-24200
7231474 CIFC5 H7 B Cl N O2P 1 c 16.2062; 5.25334; 11.18373
90; 105.503; 90		351.359Escudero-Adán, Eduardo C; Bauzá, Antonio; Lecomte, Claude; Frontera, Antonio; Ballester, Pablo
Boron triel bonding: a weak electrostatic interaction lacking electron-density descriptors.
Physical chemistry chemical physics : PCCP, 2018, 20, 24192-24200
7231475 CIFC6 H4 N2 O4P 1 21/n 15.66357; 5.37326; 10.91612
90; 92.0201; 90		331.991Escudero-Adán, Eduardo C; Bauzá, Antonio; Lecomte, Claude; Frontera, Antonio; Ballester, Pablo
Boron triel bonding: a weak electrostatic interaction lacking electron-density descriptors.
Physical chemistry chemical physics : PCCP, 2018, 20, 24192-24200
7231476 CIFC14 H14 N2 O8P 21 21 214.54306; 15.2647; 20.3244
90; 90; 90		1409.47Escudero-Adán, Eduardo C; Bauzá, Antonio; Lecomte, Claude; Frontera, Antonio; Ballester, Pablo
Boron triel bonding: a weak electrostatic interaction lacking electron-density descriptors.
Physical chemistry chemical physics : PCCP, 2018, 20, 24192-24200
7231482 CIFC32 H28 N4 O2 S2P -15.4376; 8.0683; 17.0332
77.328; 84.635; 80.612		718.02Dutta, Basudeb; Datta, Joydeep; Maity, Suvendu; Sinha, Chittaranjan; Sun, Di; Ray, Partha Pratim; Mir, Mohammad Hedayetullah
Electrical property and Schottky behavior of a flexible Schiff-base compound: X-ray structure and stabilization of 1D water chain.
Physical chemistry chemical physics : PCCP, 2018, 20, 24744-24749
7231483 CIFC34 H26P -19.1613; 11.267; 13.686
103; 108.72; 103.56		1229.6Yu, Binhong; Liu, Danyang; Wang, Yi; Zhang, Ting; Zhang, Yu-Mo; Li, Minjie; Zhang, Sean Xiao-An
Strong and insusceptible photo-emissions from an intramolecular weak hydrogen bond strengthened twisted fluorophore.
Physical chemistry chemical physics : PCCP, 2018, 20, 23851-23855
7231484 CIFC36 H32 O3P b c a18.1516; 10.532; 28.615
90; 90; 90		5470.4Yu, Binhong; Liu, Danyang; Wang, Yi; Zhang, Ting; Zhang, Yu-Mo; Li, Minjie; Zhang, Sean Xiao-An
Strong and insusceptible photo-emissions from an intramolecular weak hydrogen bond strengthened twisted fluorophore.
Physical chemistry chemical physics : PCCP, 2018, 20, 23851-23855
7231485 CIFC36 H30 O2P 1 21/c 115.885; 7.3696; 12.251
90; 109.78; 90		1349.6Yu, Binhong; Liu, Danyang; Wang, Yi; Zhang, Ting; Zhang, Yu-Mo; Li, Minjie; Zhang, Sean Xiao-An
Strong and insusceptible photo-emissions from an intramolecular weak hydrogen bond strengthened twisted fluorophore.
Physical chemistry chemical physics : PCCP, 2018, 20, 23851-23855
7231486 CIFC36 H30P 1 21/n 19.024; 8.3079; 17.6624
90; 90.015; 90		1324.16Yu, Binhong; Liu, Danyang; Wang, Yi; Zhang, Ting; Zhang, Yu-Mo; Li, Minjie; Zhang, Sean Xiao-An
Strong and insusceptible photo-emissions from an intramolecular weak hydrogen bond strengthened twisted fluorophore.
Physical chemistry chemical physics : PCCP, 2018, 20, 23851-23855
7231487 CIFC34 H20 O2C 1 2/c 128.335; 5.014; 19.7
90; 125.34; 90		2283.1Yu, Binhong; Liu, Danyang; Wang, Yi; Zhang, Ting; Zhang, Yu-Mo; Li, Minjie; Zhang, Sean Xiao-An
Strong and insusceptible photo-emissions from an intramolecular weak hydrogen bond strengthened twisted fluorophore.
Physical chemistry chemical physics : PCCP, 2018, 20, 23851-23855
7231519 CIFC63 H51 Cu F6 N7 O P3P 1 21/n 111.44; 28.561; 18.045
90; 107.39; 90		5626Zhang, Ying; Traber, Philipp; Zedler, Linda; Kupfer, Stephan; Gräfe, Stefanie; Schulz, Martin; Frey, Wolfgang; Karnahl, Michael; Dietzek, Benjamin
Cu(i) vs. Ru(ii) photosensitizers: elucidation of electron transfer processes within a series of structurally related complexes containing an extended π-system.
Physical chemistry chemical physics : PCCP, 2018, 20, 24843-24857
7231520 CIFC63.25 H55.5 Cl0.5 Cu F6 N4 O1.5 P3P -112.3503; 21.56; 23.198
102.835; 94.635; 95.324		5963.9Zhang, Ying; Traber, Philipp; Zedler, Linda; Kupfer, Stephan; Gräfe, Stefanie; Schulz, Martin; Frey, Wolfgang; Karnahl, Michael; Dietzek, Benjamin
Cu(i) vs. Ru(ii) photosensitizers: elucidation of electron transfer processes within a series of structurally related complexes containing an extended π-system.
Physical chemistry chemical physics : PCCP, 2018, 20, 24843-24857
7231531 CIFC38 H34 N4P 1 21/c 113.658; 13.839; 8.1732
90; 100.54; 90		1518.8Nikolaou, Vasilis; Plass, Fabian; Planchat, Aurélien; Charisiadis, Asterios; Charalambidis, Georgios; Angaridis, Panagiotis A.; Kahnt, Axel; Odobel, Fabrice; Coutsolelos, Athanassios G.
Effect of the triazole ring in zinc porphyrin-fullerene dyads on the charge transfer processes in NiO-based devices.
Physical chemistry chemical physics : PCCP, 2018, 20, 24477-24489
7231584 CIFLi4 O4 SiP 1 21/m 111.5518; 6.0963; 16.7209
90; 99.075; 90		1162.8Grasso, M. L.; Blanco, M. V.; Cova, F.; González, J A; Arneodo Larochette, P.; Gennari, F. C.
Evaluation of the formation and carbon dioxide capture by Li<sub>4</sub>SiO<sub>4</sub> using in situ synchrotron powder X-ray diffraction studies.
Physical chemistry chemical physics : PCCP, 2018, 20, 26570-26579
7231668 CIFC51 H36 N4P 1 21/c 114.552; 14.684; 17.328
90; 91.92; 90		3700.6Kundu, Anu; Karthikeyan, Subramanian; Sagara, Yoshimitsu; Moon, Dohyun; Anthony, Savarimuthu Philip
Unusual fluorescent photoswitching of imidazole derivatives: the role of molecular conformation and twist angle controlled organic solid state fluorescence.
Physical chemistry chemical physics : PCCP, 2018, 20, 27385-27393
7231669 CIFC40 H33 N3 OP 1 21/c 110.602; 16.393; 18.032
90; 102.46; 90		3060.1Kundu, Anu; Karthikeyan, Subramanian; Sagara, Yoshimitsu; Moon, Dohyun; Anthony, Savarimuthu Philip
Unusual fluorescent photoswitching of imidazole derivatives: the role of molecular conformation and twist angle controlled organic solid state fluorescence.
Physical chemistry chemical physics : PCCP, 2018, 20, 27385-27393
7231670 CIFC39 H29 N3C 1 2/c 117.931; 12.546; 27.155
90; 107.66; 90		5821Kundu, Anu; Karthikeyan, Subramanian; Sagara, Yoshimitsu; Moon, Dohyun; Anthony, Savarimuthu Philip
Unusual fluorescent photoswitching of imidazole derivatives: the role of molecular conformation and twist angle controlled organic solid state fluorescence.
Physical chemistry chemical physics : PCCP, 2018, 20, 27385-27393
7231671 CIFC39 H29 N3P -19.467; 10.183; 15.829
84.16; 76.29; 75.31		1432.6Kundu, Anu; Karthikeyan, Subramanian; Sagara, Yoshimitsu; Moon, Dohyun; Anthony, Savarimuthu Philip
Unusual fluorescent photoswitching of imidazole derivatives: the role of molecular conformation and twist angle controlled organic solid state fluorescence.
Physical chemistry chemical physics : PCCP, 2018, 20, 27385-27393
7231672 CIFC39 H27 N3P 1 21/c 117.587; 7.74; 21.032
90; 105.94; 90		2752.9Kundu, Anu; Karthikeyan, Subramanian; Sagara, Yoshimitsu; Moon, Dohyun; Anthony, Savarimuthu Philip
Unusual fluorescent photoswitching of imidazole derivatives: the role of molecular conformation and twist angle controlled organic solid state fluorescence.
Physical chemistry chemical physics : PCCP, 2018, 20, 27385-27393
7231776 CIFC33 H71 B10 Cl12 N2 O0P -112.4333; 12.6007; 19.7636
71.573; 75.384; 73.429		2770.42Warneke, Jonas; Konieczka, Szymon Z.; Hou, Gao-Lei; Aprà, Edoardo; Kerpen, Christoph; Keppner, Fabian; Schäfer, Thomas C; Deckert, Michael; Yang, Zheng; Bylaska, Eric J.; Johnson, Grant E.; Laskin, Julia; Xantheas, Sotiris S.; Wang, Xue-Bin; Finze, Maik
Properties of perhalogenated {closo-B<sub>10</sub>} and {closo-B<sub>11</sub>} multiply charged anions and a critical comparison with {closo-B<sub>12</sub>} in the gas and the condensed phase.
Physical chemistry chemical physics : PCCP, 2019, 21, 5903-5915
7231777 CIFC67 H155 B22 Cl17 N4 OP -112.1542; 20.4092; 23.6086
65.996; 76.12; 77.167		5142.2Warneke, Jonas; Konieczka, Szymon Z.; Hou, Gao-Lei; Aprà, Edoardo; Kerpen, Christoph; Keppner, Fabian; Schäfer, Thomas C; Deckert, Michael; Yang, Zheng; Bylaska, Eric J.; Johnson, Grant E.; Laskin, Julia; Xantheas, Sotiris S.; Wang, Xue-Bin; Finze, Maik
Properties of perhalogenated {closo-B<sub>10</sub>} and {closo-B<sub>11</sub>} multiply charged anions and a critical comparison with {closo-B<sub>12</sub>} in the gas and the condensed phase.
Physical chemistry chemical physics : PCCP, 2019, 21, 5903-5915
7231780 CIFC50.5 H104 F1.5 I1.5 N4 O3.49 S0.5P 1 21/c 125.112; 18.588; 12.3475
90; 95.627; 90		5735.8Exner, Jessica; Eusterwiemann, Steffen; Janka, Oliver; Doerenkamp, Carsten; Massolle, Anja; Niehaus, Oliver; Daniliuc, Constantin G.; Pöttgen, Rainer; Neugebauer, Johannes; Studer, Armido; Eckert, Hellmut
Antiferromagnetic ordering based on intermolecular London dispersion interactions in amphiphilic TEMPO ammonium salts.
Physical chemistry chemical physics : PCCP, 2018, 20, 28979-28983
7231781 CIFC26 H54 I N2 OP 1 21/c 125.2916; 18.5641; 12.4789
90; 92.978; 90		5851.1Exner, Jessica; Eusterwiemann, Steffen; Janka, Oliver; Doerenkamp, Carsten; Massolle, Anja; Niehaus, Oliver; Daniliuc, Constantin G.; Pöttgen, Rainer; Neugebauer, Johannes; Studer, Armido; Eckert, Hellmut
Antiferromagnetic ordering based on intermolecular London dispersion interactions in amphiphilic TEMPO ammonium salts.
Physical chemistry chemical physics : PCCP, 2018, 20, 28979-28983
7231782 CIFC27 H60 Cl N2 O3P 1 21/c 123.7688; 9.2641; 14.0543
90; 100.476; 90		3043.12Exner, Jessica; Eusterwiemann, Steffen; Janka, Oliver; Doerenkamp, Carsten; Massolle, Anja; Niehaus, Oliver; Daniliuc, Constantin G.; Pöttgen, Rainer; Neugebauer, Johannes; Studer, Armido; Eckert, Hellmut
Antiferromagnetic ordering based on intermolecular London dispersion interactions in amphiphilic TEMPO ammonium salts.
Physical chemistry chemical physics : PCCP, 2018, 20, 28979-28983
7231783 CIFC52.55 H108 F1.63 I1.46 N4 O3.63 S0.54P 1 21/c 125.5688; 18.6362; 12.5354
90; 93.716; 90		5960.6Exner, Jessica; Eusterwiemann, Steffen; Janka, Oliver; Doerenkamp, Carsten; Massolle, Anja; Niehaus, Oliver; Daniliuc, Constantin G.; Pöttgen, Rainer; Neugebauer, Johannes; Studer, Armido; Eckert, Hellmut
Antiferromagnetic ordering based on intermolecular London dispersion interactions in amphiphilic TEMPO ammonium salts.
Physical chemistry chemical physics : PCCP, 2018, 20, 28979-28983
7231809 CIFC27 H33 Cl N2 O4P 1 21/c 115.9071; 20.7468; 15.6519
90; 95.797; 90		5139Leclaire, Nicolas A.; Li, Musen; Véron, Anna C; Neels, Antonia; Heier, Jakob; Reimers, Jeffrey R.; Nüesch, Frank A
Cyanine platelet single crystals: growth, crystal structure and optical spectra.
Physical chemistry chemical physics : PCCP, 2018, 20, 29166-29173
7231866 CIFC106 H86 N8 P4 Re6 S8P -112.5444; 13.067; 16.8159
109.48; 95.962; 101.912		2497.7Li, Aisen; Wang, Jing; Liu, Yingjie; Xu, Shuping; Chu, Ning; Geng, Yijia; Li, Bao; Xu, Bin; Cui, Haining; Xu, Weiqing
Remarkable pressure-induced emission enhancement based on intermolecular charge transfer in halogen bond-driven dual-component co-crystals.
Physical chemistry chemical physics : PCCP, 2018, 20, 30297-30303
7231867 CIFF4 K TmP 3214.087; 14.087; 10.146
90; 90; 120		1743.7Li, Aisen; Wang, Jing; Liu, Yingjie; Xu, Shuping; Chu, Ning; Geng, Yijia; Li, Bao; Xu, Bin; Cui, Haining; Xu, Weiqing
Remarkable pressure-induced emission enhancement based on intermolecular charge transfer in halogen bond-driven dual-component co-crystals.
Physical chemistry chemical physics : PCCP, 2018, 20, 30297-30303
7231868 CIFC16 H8 F4 I2 N2P 1 21/c 18.3599; 5.7208; 17.7679
90; 96.344; 90		844.55Li, Aisen; Wang, Jing; Liu, Yingjie; Xu, Shuping; Chu, Ning; Geng, Yijia; Li, Bao; Xu, Bin; Cui, Haining; Xu, Weiqing
Remarkable pressure-induced emission enhancement based on intermolecular charge transfer in halogen bond-driven dual-component co-crystals.
Physical chemistry chemical physics : PCCP, 2018, 20, 30297-30303
7231869 CIFC22 H8 F10 I2 N2P 1 21/c 110.0768; 7.6435; 14.9092
90; 93.245; 90		1146.5Li, Aisen; Wang, Jing; Liu, Yingjie; Xu, Shuping; Chu, Ning; Geng, Yijia; Li, Bao; Xu, Bin; Cui, Haining; Xu, Weiqing
Remarkable pressure-induced emission enhancement based on intermolecular charge transfer in halogen bond-driven dual-component co-crystals.
Physical chemistry chemical physics : PCCP, 2018, 20, 30297-30303
7231870 CIFC36 H56 Cd2 N20P 1 2/n 111.1924; 7.6769; 13.6278
90; 92.252; 90		1170.04Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Stefańska, Dagmara; Sieradzki, Adam
Temperature-dependent studies of a new two-dimensional cadmium dicyanamide framework exhibiting an unusual temperature-induced irreversible phase transition into a three-dimensional perovskite-like framework.
Physical chemistry chemical physics : PCCP, 2018, 20, 29951-29958
7231871 CIFC18 H28 Cd N10P 1 21/n 110.9243; 15.2819; 13.7228
90; 93.079; 90		2287.63Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Stefańska, Dagmara; Sieradzki, Adam
Temperature-dependent studies of a new two-dimensional cadmium dicyanamide framework exhibiting an unusual temperature-induced irreversible phase transition into a three-dimensional perovskite-like framework.
Physical chemistry chemical physics : PCCP, 2018, 20, 29951-29958
7231872 CIFC18 H28 Cd N10P -4 21 c16.2757; 16.2757; 17.5837
90; 90; 90		4657.89Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Stefańska, Dagmara; Sieradzki, Adam
Temperature-dependent studies of a new two-dimensional cadmium dicyanamide framework exhibiting an unusual temperature-induced irreversible phase transition into a three-dimensional perovskite-like framework.
Physical chemistry chemical physics : PCCP, 2018, 20, 29951-29958
7231893 CIFC27 H19 N3 O2 SP 1 21/c 112.7652; 6.1962; 26.7849
90; 91.423; 90		2117.92Duarte, Luís Gustavo Teixeira Alves; Germino, José Carlos; Berbigier, Jônatas Faleiro; Barboza, Cristina Aparecida; Faleiros, Marcelo Meira; de Alencar Simoni, Deborah; Galante, Miguel Tayar; de Holanda, Matheus Serra; Rodembusch, Fabiano Severo; Atvars, Teresa Dib Zambon
White-light generation from all-solution-processed OLEDs using a benzothiazole-salophen derivative reactive to the ESIPT process.
Physical chemistry chemical physics : PCCP, 2019, 21, 1172-1182
7231994 CIFC30 H24 N2 Ni2 O8C 1 2/m 118.576; 18.408; 9.3574
90; 97.545; 90		3172Petkov, Petko St; Bon, Volodymyr; Hobday, Claire L.; Kuc, Agnieszka B.; Melix, Patrick; Kaskel, Stefan; Düren, Tina; Heine, Thomas
Conformational isomerism controls collective flexibility in metal-organic framework DUT-8(Ni).
Physical chemistry chemical physics : PCCP, 2019, 21, 674-680
7231995 CIFC12 H12 Cu N8 O6P -16.8023; 7.285; 9.2846
93.815; 111.477; 112.513		383.91Huddart, Benjamin M.; Brambleby, Jamie; Lancaster, Tom; Goddard, Paul A.; Xiao, Fan; Blundell, Stephen J.; Pratt, Francis L.; Singleton, John; Macchi, Piero; Scatena, Rebecca; Barton, Alyssa M.; Manson, Jamie L.
Magnetic order and enhanced exchange in the quasi-one-dimensional molecule-based antiferromagnet Cu(NO<sub>3</sub>)<sub>2</sub>(pyz)<sub>3</sub>.
Physical chemistry chemical physics : PCCP, 2019, 21, 1014-1018
7232004 CIFC21 H18 N2 SP 1 21/c 16.1982; 24.956; 10.855
90; 97.234; 90		1665.7Fu, Hong-Yu; Liu, Xiao-Jing; Zha, Hao; Li, Xiao-Xue; Xu, Yi; Yang, Fan; Xia, Min
Position- and region-isomerized derivatives of a V-shaped fluorophore: the unique solution-state dual emission and the unusual force-induced solid-state turn-on emission.
Physical chemistry chemical physics : PCCP, 2019, 21, 1399-1407
7232005 CIFC27 H22 N2 SP 1 21/c 110.7946; 7.794; 25.0193
90; 96.088; 90		2093.1Fu, Hong-Yu; Liu, Xiao-Jing; Zha, Hao; Li, Xiao-Xue; Xu, Yi; Yang, Fan; Xia, Min
Position- and region-isomerized derivatives of a V-shaped fluorophore: the unique solution-state dual emission and the unusual force-induced solid-state turn-on emission.
Physical chemistry chemical physics : PCCP, 2019, 21, 1399-1407
7232006 CIFC27 H22 N2 SP 1 21/n 17.398; 14.3691; 20.4895
90; 91.329; 90		2177.5Fu, Hong-Yu; Liu, Xiao-Jing; Zha, Hao; Li, Xiao-Xue; Xu, Yi; Yang, Fan; Xia, Min
Position- and region-isomerized derivatives of a V-shaped fluorophore: the unique solution-state dual emission and the unusual force-induced solid-state turn-on emission.
Physical chemistry chemical physics : PCCP, 2019, 21, 1399-1407
7232007 CIFC27 H22 N2 SP 1 21 112.2955; 13.9512; 12.4705
90; 102.145; 90		2091.3Fu, Hong-Yu; Liu, Xiao-Jing; Zha, Hao; Li, Xiao-Xue; Xu, Yi; Yang, Fan; Xia, Min
Position- and region-isomerized derivatives of a V-shaped fluorophore: the unique solution-state dual emission and the unusual force-induced solid-state turn-on emission.
Physical chemistry chemical physics : PCCP, 2019, 21, 1399-1407
7232008 CIFC27 H22 N2 SP 1 21/c 141.697; 11.1157; 9.2068
90; 93.753; 90		4258.1Fu, Hong-Yu; Liu, Xiao-Jing; Zha, Hao; Li, Xiao-Xue; Xu, Yi; Yang, Fan; Xia, Min
Position- and region-isomerized derivatives of a V-shaped fluorophore: the unique solution-state dual emission and the unusual force-induced solid-state turn-on emission.
Physical chemistry chemical physics : PCCP, 2019, 21, 1399-1407
7232021 CIFC190 H62.67 Cl1.33 N2 P2 Sc6P 3 1 m21.2827; 21.2827; 22.0855
90; 90; 120		8663.5Konarev, Dmitri V.; Khasanov, Salavat S.; Shimizu, Yasuhiro; Kuzmin, Alexey V.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.
Fullerene and endometallofullerene Kagome lattices with symmetry-forced spin frustration.
Physical chemistry chemical physics : PCCP, 2019, 21, 1645-1649
7232022 CIFC150 H62.67 Cl1.33 P2P 3 1 m19.7234; 19.7234; 20.1242
90; 90; 120		6779.7Konarev, Dmitri V.; Khasanov, Salavat S.; Shimizu, Yasuhiro; Kuzmin, Alexey V.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.
Fullerene and endometallofullerene Kagome lattices with symmetry-forced spin frustration.
Physical chemistry chemical physics : PCCP, 2019, 21, 1645-1649
7232158 CIFC37 H28 N2 O3P 1 21/c 110.465; 15.416; 18.321
90; 103.26; 90		2876.9Zhang, Yuecheng; Yuan, Longfei; Jia, Shang; Liu, Xiao; Zhao, Jiquan; Yin, Guohui
Dicyanovinyl substituted push-pull chromophores: effects of central C[double bond, length as m-dash]C/phenyl spacers, crystal structures and application in hydrazine sensing.
Physical chemistry chemical physics : PCCP, 2019, 21, 3218-3226
7232159 CIFC23 H16 N2 OP 1 21/c 17.777; 17.853; 12.949
90; 101.44; 90		1762.2Zhang, Yuecheng; Yuan, Longfei; Jia, Shang; Liu, Xiao; Zhao, Jiquan; Yin, Guohui
Dicyanovinyl substituted push-pull chromophores: effects of central C[double bond, length as m-dash]C/phenyl spacers, crystal structures and application in hydrazine sensing.
Physical chemistry chemical physics : PCCP, 2019, 21, 3218-3226
7232160 CIFC23 H20 N2 OP 1 21/c 18.1645; 17.838; 13.102
90; 104.42; 90		1848Zhang, Yuecheng; Yuan, Longfei; Jia, Shang; Liu, Xiao; Zhao, Jiquan; Yin, Guohui
Dicyanovinyl substituted push-pull chromophores: effects of central C[double bond, length as m-dash]C/phenyl spacers, crystal structures and application in hydrazine sensing.
Physical chemistry chemical physics : PCCP, 2019, 21, 3218-3226
7232335 CIFC20 H19 Cl Cu N4 O SP 1 21/n 111.979; 14.0236; 12.1193
90; 104.952; 90		1966.97Santana, Vinicius T.; Cunha, Beatriz N.; Plutín, Ana M; Silveira, Rafael G.; Castellano, Eduardo E.; Batista, Alzir A.; Calvo, Rafael; Nascimento, Otaciro R.
Magnetic-field-tuned phase transition of a molecular material from the isolated-spin to the coupled-spin regime.
Physical chemistry chemical physics : PCCP, 2019, 21, 4394-4407
7232542 CIFC20 H13 Br N4 O SP -18.8883; 9.4264; 12.0358
71.714; 80.483; 80.791		937.99Tan, Siew San; Yanagisawa, Susumu; Inagaki, Kouji; Kassim, Mohammad B.; Morikawa, Yoshitada
Experimental and computational studies on ruthenium(ii) bis-diimine complexes of N,N'-chelate ligands: the origin of changes in absorption spectra upon oxidation and reduction.
Physical chemistry chemical physics : PCCP, 2019, 21, 7973-7988
7232668 CIFC28 H20 N2 OP 1 21/c 110.097; 11.51; 18.588
90; 100.972; 90		2121Neelambra, Afeefah U.; Govind, Chinju; Devassia, Tessy T.; Somashekharappa, Guruprasad M.; Karunakaran, Venugopal
Direct evidence of solvent polarity governing the intramolecular charge and energy transfer: ultrafast relaxation dynamics of push-pull fluorene derivatives.
Physical chemistry chemical physics : PCCP, 2019, 21, 11087-11102
7234678 CIFC48 H72 Er K O8P 1 21/n 19.8556; 20.0974; 22.9588
90; 92.578; 90		4542.9Hilgar, Jeremy D.; Butts, Aaron K.; Rinehart, Jeffrey D.
A method for extending AC susceptometry to long-timescale magnetic relaxation.
Physical chemistry chemical physics : PCCP, 2019
7234975 CIFC4 H6 F4 Li2 N2 O11 S4P -17.3617; 9.6029; 13.0788
76.512; 76.556; 71.936		841.85Kondou, Shinji; Thomas, Morgan L.; Mandai, Toshihiko; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi
Ionic transport in highly concentrated lithium bis(fluorosulfonyl)amide electrolytes with keto ester solvents: structural implications for ion hopping conduction in liquid electrolytes.
Physical chemistry chemical physics : PCCP, 2019, 21, 5097-5105
7234976 CIFC9 H8 F12 Li2 N2 O11 S4P 1 21/n 111.185; 10.466; 20.4745
90; 90.679; 90		2396.62Kondou, Shinji; Thomas, Morgan L.; Mandai, Toshihiko; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi
Ionic transport in highly concentrated lithium bis(fluorosulfonyl)amide electrolytes with keto ester solvents: structural implications for ion hopping conduction in liquid electrolytes.
Physical chemistry chemical physics : PCCP, 2019, 21, 5097-5105
7235237 CIFC12 H8 B2 D24 Mg O3C 1 2/c 111.9604; 12.4903; 19.9494
90; 144.456; 90		1732.5Dimitrievska, Mirjana; Chong, Marina; Bowden, Mark E.; Wu, Hui; Zhou, Wei; Nayyar, Iffat; Ginovska, Bojana; Gennett, Thomas; Autrey, Tom; Jensen, Craig M.; Udovic, Terrence J.
Structural and reorientational dynamics of tetrahydroborate (BH<sub>4</sub><sup>-</sup>) and tetrahydrofuran (THF) in a Mg(BH<sub>4</sub>)<sub>2</sub>·3THF adduct: neutron-scattering characterization.
Physical chemistry chemical physics : PCCP, 2019, 22, 368-378
7235238 CIFC12 H8 B2 D24 Mg O3C 1 2/c 112.1152; 12.6233; 20.199
90; 144.992; 90		1772.2Dimitrievska, Mirjana; Chong, Marina; Bowden, Mark E.; Wu, Hui; Zhou, Wei; Nayyar, Iffat; Ginovska, Bojana; Gennett, Thomas; Autrey, Tom; Jensen, Craig M.; Udovic, Terrence J.
Structural and reorientational dynamics of tetrahydroborate (BH<sub>4</sub><sup>-</sup>) and tetrahydrofuran (THF) in a Mg(BH<sub>4</sub>)<sub>2</sub>·3THF adduct: neutron-scattering characterization.
Physical chemistry chemical physics : PCCP, 2019, 22, 368-378
7238275 CIFC30 H24 N2 Ni2 O8P 4/n :218.4312; 18.4312; 9.3905
90; 90; 90		3190Klein, Nicole; Herzog, Christin; Sabo, Michal; Senkovska, Irena; Getzschmann, Jürgen; Paasch, Silvia; Lohe, Martin R.; Brunner, Eike; Kaskel, Stefan
Monitoring adsorption-induced switching by (129)Xe NMR spectroscopy in a new metal-organic framework Ni(2)(2,6-ndc)(2)(dabco).
Physical chemistry chemical physics : PCCP, 2010, 12, 11778-11784
7238374 CIFC12 H F15 OP 1 21/c 112.051; 15.155; 15.989
90; 113.85; 90		2670.8Trapp, Nils; Scherer, Harald; Hayes, Stuart A.; Berger, Raphael J. F.; Kütt, Agnes; Mitzel, Norbert W.; Saame, Jaan; Krossing, Ingo
The perfluorinated alcohols (F5C6)(F3C)2COH and (F5C6)(F10C5)COH: synthesis, theoretical and acidity studies, spectroscopy and structures in the solid state and the gas phase.
Physical chemistry chemical physics : PCCP, 2011, 13, 6184-6191
7239625 CIFC26 H12 F2 N2 O4P 1 21/c 116.538; 8.3933; 7.205
90; 101.82; 90		978.9Komissarova, Ekaterina A.; Dominskiy, Dmitry I.; Zhulanov, Vladimir E.; Abashev, George G.; Siddiqui, Afzal; Singh, Surya P.; Sosorev, Andrey Yu; Paraschuk, Dmitry Yu
Unraveling the unusual effect of fluorination on crystal packing in an organic semiconductor.
Physical chemistry chemical physics : PCCP, 2020, 22, 1665-1673
7239786 CIFC24 H18 N4 PtP 1 21/c 128.1541; 7.891; 17.6912
90; 106.211; 90		3774.1Föller, Jelena; Friese, Daniel H.; Riese, Stefan; Kaminski, Jeremy M.; Metz, Simon; Schmidt, David; Würthner, Frank; Lambert, Christoph; Marian, Christel M.
On the photophysical properties of Ir<sup>III</sup>, Pt<sup>II</sup>, and Pd<sup>II</sup> (phenylpyrazole) (phenyldipyrrin) complexes.
Physical chemistry chemical physics : PCCP, 2020, 22, 3217-3233
7239787 CIFC25 H20 Cl2 N4 PdP 1 21/c 112.6868; 18.9392; 9.8058
90; 108.94; 90		2228.55Föller, Jelena; Friese, Daniel H.; Riese, Stefan; Kaminski, Jeremy M.; Metz, Simon; Schmidt, David; Würthner, Frank; Lambert, Christoph; Marian, Christel M.
On the photophysical properties of Ir<sup>III</sup>, Pt<sup>II</sup>, and Pd<sup>II</sup> (phenylpyrazole) (phenyldipyrrin) complexes.
Physical chemistry chemical physics : PCCP, 2020, 22, 3217-3233
7239797 CIFC22 H18 N4 Se2P -15.7832; 7.7601; 12.0835
77.499; 78.664; 73.377		502.02Kumar, Vijith; Xu, Yijue; Leroy, César; Bryce, David L.
Direct investigation of chalcogen bonds by multinuclear solid-state magnetic resonance and vibrational spectroscopy.
Physical chemistry chemical physics : PCCP, 2020, 22, 3817-3824
7239798 CIFC22 H18 N4 Se2C 1 2/c 15.7217; 14.197; 25.666
90; 92.162; 90		2083.4Kumar, Vijith; Xu, Yijue; Leroy, César; Bryce, David L.
Direct investigation of chalcogen bonds by multinuclear solid-state magnetic resonance and vibrational spectroscopy.
Physical chemistry chemical physics : PCCP, 2020, 22, 3817-3824
7239799 CIFC8 H7 N TeP 1 21/c 16.031; 16.042; 8.787
90; 95.82; 90		845.8Kumar, Vijith; Xu, Yijue; Leroy, César; Bryce, David L.
Direct investigation of chalcogen bonds by multinuclear solid-state magnetic resonance and vibrational spectroscopy.
Physical chemistry chemical physics : PCCP, 2020, 22, 3817-3824
7239832 CIFC1.87 H1.35 N0.13P -19.7503; 18.6569; 19.6036
65.086; 76.413; 80.311		3134Kim, Min-Ji; Ahn, Mina; Shim, Jun Ho; Wee, Kyung-Ryang
Terphenyl backbone-based donor-π-acceptor dyads: geometric isomer effects on intramolecular charge transfer.
Physical chemistry chemical physics : PCCP, 2020, 22, 3370-3378
7239842 CIFC19 H19 B F2 N2 OP 1 21/n 114.4922; 14.2458; 15.9319
90; 91.96; 90		3287.26Sittig, Maria; Schmidt, Benny; Görls, Helmar; Bocklitz, Thomas; Wächtler, Maria; Zechel, Stefan; Hager, Martin D.; Dietzek, Benjamin
Fluorescence upconversion by triplet-triplet annihilation in all-organic poly(methacrylate)-terpolymers.
Physical chemistry chemical physics : PCCP, 2020, 22, 4072-4079
7239843 CIFC19 H17 B F2 I2 N2 OP 1 21/c 121.8579; 10.5698; 18.2672
90; 112.645; 90		3894.98Sittig, Maria; Schmidt, Benny; Görls, Helmar; Bocklitz, Thomas; Wächtler, Maria; Zechel, Stefan; Hager, Martin D.; Dietzek, Benjamin
Fluorescence upconversion by triplet-triplet annihilation in all-organic poly(methacrylate)-terpolymers.
Physical chemistry chemical physics : PCCP, 2020, 22, 4072-4079
7239881 CIFC24 H16 B2 F4 N4P 1 21/n 16.0437; 11.6835; 14.5203
90; 96.343; 90		1019.02Mangham, Barry; Hanson-Heine, Magnus W D; Davies, E. Stephen; Wriglesworth, Alisdair; George, Michael W.; Lewis, William; Kays, Deborah L.; McMaster, Jonathan; Besley, Nicholas A.; Champness, Neil R.
Influence of molecular design on radical spin multiplicity: characterisation of BODIPY dyad and triad radical anions.
Physical chemistry chemical physics : PCCP, 2020, 22, 4429-4438
7239882 CIFC24 H16 B2 F4 N4C 1 2/c 119.818; 10.284; 12.947
90; 130.539; 90		2005Mangham, Barry; Hanson-Heine, Magnus W D; Davies, E. Stephen; Wriglesworth, Alisdair; George, Michael W.; Lewis, William; Kays, Deborah L.; McMaster, Jonathan; Besley, Nicholas A.; Champness, Neil R.
Influence of molecular design on radical spin multiplicity: characterisation of BODIPY dyad and triad radical anions.
Physical chemistry chemical physics : PCCP, 2020, 22, 4429-4438
7239883 CIFC33.5 H22 B3 Cl F6 N6P 1 21/c 120.5; 20.4; 8.11
90; 95.68; 90		3375Mangham, Barry; Hanson-Heine, Magnus W D; Davies, E. Stephen; Wriglesworth, Alisdair; George, Michael W.; Lewis, William; Kays, Deborah L.; McMaster, Jonathan; Besley, Nicholas A.; Champness, Neil R.
Influence of molecular design on radical spin multiplicity: characterisation of BODIPY dyad and triad radical anions.
Physical chemistry chemical physics : PCCP, 2020, 22, 4429-4438
7239997 CIFC96 H108 Ni6 S12P 1 21/n 111.244; 12.415; 32.461
90; 92.071; 90		4528Pembere, Anthony M. S.; Cui, Chaonan; Anumula, Rajini; Wu, Haiming; An, Pan; Liang, Tongling; Luo, Zhixun
Correction: A hexagonal Ni<sub>6</sub> cluster protected by 2-phenylethanethiol for catalytic conversion of toluene to benzaldehyde.
Physical chemistry chemical physics : PCCP, 2020, 22, 6010-6010
7240068 CIFC12 H10 N4 O4 PtI b a m9.7525; 20.6661; 6.358
90; 90; 90		1281.43Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil
Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.
Physical chemistry chemical physics : PCCP, 2020, 22, 6677-6689
7240069 CIFC12 H10 N4 O4 PtI b a m9.7361; 20.626; 6.3029
90; 90; 90		1265.7Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil
Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.
Physical chemistry chemical physics : PCCP, 2020, 22, 6677-6689
7240070 CIFC12 H10 N4 O4 PtI b a m9.6689; 20.509; 6.1816
90; 90; 90		1225.8Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil
Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.
Physical chemistry chemical physics : PCCP, 2020, 22, 6677-6689
7240071 CIFC12 H10 N4 O4 PtI b a m9.7551; 20.661; 6.334
90; 90; 90		1276.6Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil
Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.
Physical chemistry chemical physics : PCCP, 2020, 22, 6677-6689
7240072 CIFC12 H10 N4 O4 PtI b a m9.7115; 20.57; 6.2627
90; 90; 90		1251.1Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil
Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.
Physical chemistry chemical physics : PCCP, 2020, 22, 6677-6689
7240073 CIFC12 H10 N4 O4 PtI b a m9.6376; 20.354; 6.0986
90; 90; 90		1196.3Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil
Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.
Physical chemistry chemical physics : PCCP, 2020, 22, 6677-6689
7240074 CIFC12 H10 N4 O4 PtI b a m9.6249; 20.271; 5.9805
90; 90; 90		1166.8Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil
Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.
Physical chemistry chemical physics : PCCP, 2020, 22, 6677-6689
7240075 CIFC12 H10 N4 O4 PtI b a m9.5805; 20.129; 5.8077
90; 90; 90		1120Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil
Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.
Physical chemistry chemical physics : PCCP, 2020, 22, 6677-6689
7240076 CIFC12 H10 N4 O4 PtI b a m9.5883; 20.186; 5.8532
90; 90; 90		1132.9Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil
Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.
Physical chemistry chemical physics : PCCP, 2020, 22, 6677-6689
7240097 CIFC19 H20 N2 O3C 1 2/c 116; 6.7252; 30.665
90; 98.08; 90		3266.9Barboza, Cristina A.; Gawrys, Pawel; Banasiewicz, Marzena; Suwinska, Kinga; Sobolewski, Andrzej L.
Photophysical transformations induced by chemical substitution to salicylaldimines.
Physical chemistry chemical physics : PCCP, 2020, 22, 6698-6705
7240098 CIFC17 H21 N3 OP 1 21/c 18.949; 21.987; 8.156
90; 103.14; 90		1562.8Barboza, Cristina A.; Gawrys, Pawel; Banasiewicz, Marzena; Suwinska, Kinga; Sobolewski, Andrzej L.
Photophysical transformations induced by chemical substitution to salicylaldimines.
Physical chemistry chemical physics : PCCP, 2020, 22, 6698-6705
7240099 CIFC18 H19 N3 OP 1 21/c 114.488; 6.787; 16.457
90; 98.99; 90		1598.3Barboza, Cristina A.; Gawrys, Pawel; Banasiewicz, Marzena; Suwinska, Kinga; Sobolewski, Andrzej L.
Photophysical transformations induced by chemical substitution to salicylaldimines.
Physical chemistry chemical physics : PCCP, 2020, 22, 6698-6705
7240100 CIFC19 H18 N4 OP -14.875; 13.717; 14.116
112.92; 96.63; 92.67		859.3Barboza, Cristina A.; Gawrys, Pawel; Banasiewicz, Marzena; Suwinska, Kinga; Sobolewski, Andrzej L.
Photophysical transformations induced by chemical substitution to salicylaldimines.
Physical chemistry chemical physics : PCCP, 2020, 22, 6698-6705
7240101 CIFC15 H18 N4 OP 1 21/c 17.175; 14.95; 13.418
90; 95.31; 90		1433.1Barboza, Cristina A.; Gawrys, Pawel; Banasiewicz, Marzena; Suwinska, Kinga; Sobolewski, Andrzej L.
Photophysical transformations induced by chemical substitution to salicylaldimines.
Physical chemistry chemical physics : PCCP, 2020, 22, 6698-6705
7240102 CIFC19 H18 N4 OP 1 21/c 18.499; 8.283; 23.92
90; 94.86; 90		1678Barboza, Cristina A.; Gawrys, Pawel; Banasiewicz, Marzena; Suwinska, Kinga; Sobolewski, Andrzej L.
Photophysical transformations induced by chemical substitution to salicylaldimines.
Physical chemistry chemical physics : PCCP, 2020, 22, 6698-6705
7240162 CIFB2 H11 Mg NP n m a11.29376; 7.62235; 6.81817
90; 90; 90		586.942Yan, Yigang; Dononelli, Wilke; Jørgensen, Mathias; Grinderslev, Jakob B.; Lee, Young-Su; Cho, Young Whan; Černý, Radovan; Hammer, Bjørk; Jensen, Torben R.
The mechanism of Mg<sup>2+</sup> conduction in ammine magnesium borohydride promoted by a neutral molecule.
Physical chemistry chemical physics : PCCP, 2020, 22, 9204-9209
7240163 CIFC15 H21 O6 VP 1 21/n 17.9785; 12.9974; 15.954
90; 90.022; 90		1654.43Andersen, Anders B. A.; Pyykkönen, Ari; Jensen, Hans Jørgen Aa; McKee, Vickie; Vaara, Juha; Nielsen, Ulla Gro
Remarkable reversal of <sup>13</sup>C-NMR assignment in d<sup>1</sup>, d<sup>2</sup> compared to d<sup>8</sup>, d<sup>9</sup> acetylacetonate complexes: analysis and explanation based on solid-state MAS NMR and computations.
Physical chemistry chemical physics : PCCP, 2020, 22, 8048-8059
7240214 CIFC31 H28 N2 O2P 1 21/n 17.9995; 14.2069; 21.3942
90; 100.552; 90		2390.29Kulszewicz-Bajer, Irena; Zagorska, Malgorzata; Banasiewicz, Marzena; Guńka, Piotr A; Toman, Petr; Kozankiewicz, Boleslaw; Wiosna-Salyga, Gabriela; Pron, Adam
Effect of the substituent position on the electrochemical, optical and structural properties of donor-acceptor type acridone derivatives.
Physical chemistry chemical physics : PCCP, 2020, 22, 8522-8534
7240215 CIFC31 H28 N2 O2P -19.3283; 10.2674; 13.0289
79.338; 87.728; 73.749		1177.23Kulszewicz-Bajer, Irena; Zagorska, Malgorzata; Banasiewicz, Marzena; Guńka, Piotr A; Toman, Petr; Kozankiewicz, Boleslaw; Wiosna-Salyga, Gabriela; Pron, Adam
Effect of the substituent position on the electrochemical, optical and structural properties of donor-acceptor type acridone derivatives.
Physical chemistry chemical physics : PCCP, 2020, 22, 8522-8534
7240216 CIFC31 H28 N2 O2P 1 21/c 112.0942; 14.502; 28.554
90; 90.589; 90		5007.8Kulszewicz-Bajer, Irena; Zagorska, Malgorzata; Banasiewicz, Marzena; Guńka, Piotr A; Toman, Petr; Kozankiewicz, Boleslaw; Wiosna-Salyga, Gabriela; Pron, Adam
Effect of the substituent position on the electrochemical, optical and structural properties of donor-acceptor type acridone derivatives.
Physical chemistry chemical physics : PCCP, 2020, 22, 8522-8534
7240335 CIFC29 H30 Cu F18 N2 O6P 1 21/c 120.337; 10.3082; 19.214
90; 94.041; 90		4018Zhao, Chenxuan; Lu, Guodong; Yao, Jia; Li, Haoran
Structural and electronic properties of Cu<sup>II</sup>, Co<sup>II</sup>, and Ni<sup>II</sup>-containing chelate-based ionic liquids.
Physical chemistry chemical physics : PCCP, 2020, 22, 11417-11430
7240336 CIFC25 H22 Cu F18 N2 O6P b c a10.0639; 19.418; 34.924
90; 90; 90		6824.9Zhao, Chenxuan; Lu, Guodong; Yao, Jia; Li, Haoran
Structural and electronic properties of Cu<sup>II</sup>, Co<sup>II</sup>, and Ni<sup>II</sup>-containing chelate-based ionic liquids.
Physical chemistry chemical physics : PCCP, 2020, 22, 11417-11430
7240337 CIFC29 H30 F18 N2 Ni O6C 1 2/c 1105.18; 14.433; 20.46
90; 101.531; 90		30433Zhao, Chenxuan; Lu, Guodong; Yao, Jia; Li, Haoran
Structural and electronic properties of Cu<sup>II</sup>, Co<sup>II</sup>, and Ni<sup>II</sup>-containing chelate-based ionic liquids.
Physical chemistry chemical physics : PCCP, 2020, 22, 11417-11430
7240338 CIFC29 H30 Co F18 N2 O6C 1 2/c 1107.271; 14.8819; 20.6549
90; 100.871; 90		32382Zhao, Chenxuan; Lu, Guodong; Yao, Jia; Li, Haoran
Structural and electronic properties of Cu<sup>II</sup>, Co<sup>II</sup>, and Ni<sup>II</sup>-containing chelate-based ionic liquids.
Physical chemistry chemical physics : PCCP, 2020, 22, 11417-11430
7240348 CIFC58 H32 Br2 I4 N4 O4 SnP -18.8174; 10.8226; 15.236
99.763; 100.739; 96.909		1390.35Rani, Jyoti; Grover, Vratta; Dhamija, Swati; Titi, Hatem M.; Patra, Ranjan
Computational insight into the halogen bonded self-assembly of hexa-coordinated metalloporphyrins.
Physical chemistry chemical physics : PCCP, 2020, 22, 11558-11566
7240349 CIFC58 H32 Cl2 I4 N4 O4 SnP -19.753; 10.7232; 15.0866
99.562; 103.457; 93.415		1505.21Rani, Jyoti; Grover, Vratta; Dhamija, Swati; Titi, Hatem M.; Patra, Ranjan
Computational insight into the halogen bonded self-assembly of hexa-coordinated metalloporphyrins.
Physical chemistry chemical physics : PCCP, 2020, 22, 11558-11566
7240350 CIFC36 H27 BiP 1 21/n 110.0767; 20.4313; 13.8429
90; 109.817; 90		2681.2Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael
Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives.
Physical chemistry chemical physics : PCCP, 2020, 22, 10189-10211
7240351 CIFC25 H21 BiP 1 21 115.1772; 6.7889; 19.209
90; 99.773; 90		1950.51Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael
Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives.
Physical chemistry chemical physics : PCCP, 2020, 22, 10189-10211
7240352 CIFC24 H19 Bi IP -19.3194; 9.6034; 12.8339
108.743; 99.713; 103.712		1018.57Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael
Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives.
Physical chemistry chemical physics : PCCP, 2020, 22, 10189-10211
7240353 CIFC24 H18 Bi2 I4P -19.4889; 9.9731; 14.6288
102.42; 93.506; 92.701		1346.9Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael
Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives.
Physical chemistry chemical physics : PCCP, 2020, 22, 10189-10211
7240354 CIFC12 H9 Bi Br2P 1 21/c 17.5467; 9.2977; 18.6372
90; 94.936; 90		1302.87Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael
Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives.
Physical chemistry chemical physics : PCCP, 2020, 22, 10189-10211
7240355 CIFC36 H27 SbP 1 21/n 110.0086; 20.2781; 13.7772
90; 109.442; 90		2636.7Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael
Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives.
Physical chemistry chemical physics : PCCP, 2020, 22, 10189-10211
7240356 CIFC24 H18 Bi BrP 1 21/n 19.9115; 15.7922; 13.3369
90; 107.717; 90		1988.5Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael
Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives.
Physical chemistry chemical physics : PCCP, 2020, 22, 10189-10211
7240357 CIFC12 H9 Bi Cl2P 21 21 217.6237; 9.0462; 17.654
90; 90; 90		1217.52Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael
Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives.
Physical chemistry chemical physics : PCCP, 2020, 22, 10189-10211
7240358 CIFC24 H18 Bi ClP -19.9371; 11.3295; 17.9137
78.588; 86.69; 78.695		1938.16Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael
Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives.
Physical chemistry chemical physics : PCCP, 2020, 22, 10189-10211
7240475 CIFC42 H35 Au N P SP -111.8146; 12.7494; 12.7733
74.285; 63.823; 83.926		1661.94Mihaly, Joseph J.; Phillips, Alexis T.; Stewart, David J.; Marsh, Zachary M.; McCleese, Christopher L.; Haley, Joy E.; Zeller, Matthias; Grusenmeyer, Tod A.; Gray, Thomas G.
Synthesis and photophysics of gold(i) alkynyls bearing a benzothiazole-2,7-fluorenyl moiety: a comparative study analyzing influence of ancillary ligand, bridging moiety, and number of metal centers on photophysical properties.
Physical chemistry chemical physics : PCCP, 2020, 22, 11915-11927
7240476 CIFC42 H53 Au N P SP -112.571; 12.7256; 13.7715
104.775; 104.891; 111.277		1829.6Mihaly, Joseph J.; Phillips, Alexis T.; Stewart, David J.; Marsh, Zachary M.; McCleese, Christopher L.; Haley, Joy E.; Zeller, Matthias; Grusenmeyer, Tod A.; Gray, Thomas G.
Synthesis and photophysics of gold(i) alkynyls bearing a benzothiazole-2,7-fluorenyl moiety: a comparative study analyzing influence of ancillary ligand, bridging moiety, and number of metal centers on photophysical properties.
Physical chemistry chemical physics : PCCP, 2020, 22, 11915-11927
7240477 CIFC59.61 H67.34 Au N3 SP -114.8591; 15.918; 24.8004
91.478; 98.399; 114.388		5261.1Mihaly, Joseph J.; Phillips, Alexis T.; Stewart, David J.; Marsh, Zachary M.; McCleese, Christopher L.; Haley, Joy E.; Zeller, Matthias; Grusenmeyer, Tod A.; Gray, Thomas G.
Synthesis and photophysics of gold(i) alkynyls bearing a benzothiazole-2,7-fluorenyl moiety: a comparative study analyzing influence of ancillary ligand, bridging moiety, and number of metal centers on photophysical properties.
Physical chemistry chemical physics : PCCP, 2020, 22, 11915-11927
7240483 CIFC32 H23 F7 N O5 P S2P b c a18.0015; 18.7263; 18.8837
90; 90; 90		6365.7Rabideau, Brooks D.; Soltani, Mohammad; Parker, Rome A.; Siu, Benjamin; Salter, E. Alan; Wierzbicki, Andrzej; West, Kevin N.; Davis, Jr, James H
Tuning the melting point of selected ionic liquids through adjustment of the cation's dipole moment.
Physical chemistry chemical physics : PCCP, 2020, 22, 12301-12311
7240484 CIFC32 H24 F6 N O5 P S2P c a 2118.1884; 9.1975; 18.6788
90; 90; 90		3124.7Rabideau, Brooks D.; Soltani, Mohammad; Parker, Rome A.; Siu, Benjamin; Salter, E. Alan; Wierzbicki, Andrzej; West, Kevin N.; Davis, Jr, James H
Tuning the melting point of selected ionic liquids through adjustment of the cation's dipole moment.
Physical chemistry chemical physics : PCCP, 2020, 22, 12301-12311
7240485 CIFC26 H19 F7 N O4 P S2P -19.5981; 13.6324; 22.2398
102.938; 92.159; 109.211		2658.5Rabideau, Brooks D.; Soltani, Mohammad; Parker, Rome A.; Siu, Benjamin; Salter, E. Alan; Wierzbicki, Andrzej; West, Kevin N.; Davis, Jr, James H
Tuning the melting point of selected ionic liquids through adjustment of the cation's dipole moment.
Physical chemistry chemical physics : PCCP, 2020, 22, 12301-12311
7240486 CIFC32 H23 F7 N O5 P S2P 1 21/n 118.0534; 19.0695; 20.2712
90; 114.239; 90		6363.5Rabideau, Brooks D.; Soltani, Mohammad; Parker, Rome A.; Siu, Benjamin; Salter, E. Alan; Wierzbicki, Andrzej; West, Kevin N.; Davis, Jr, James H
Tuning the melting point of selected ionic liquids through adjustment of the cation's dipole moment.
Physical chemistry chemical physics : PCCP, 2020, 22, 12301-12311
7240623 CIFC27 H25 N7 O15 ThP 1 21/c 19.8122; 20.4453; 15.9721
90; 104.283; 90		3105.2Autillo, Matthieu; Islam, Md Ashraful; Jung, Julie; Pilmé, Julien; Galland, Nicolas; Guerin, Laetitia; Moisy, Philippe; Berthon, Claude; Tamain, Christelle; Bolvin, Hélène
Crystallographic structure and crystal field parameters in the [An<sup>IV</sup>(DPA)<sub>3</sub>]<sup>2-</sup> series, An = Th, U, Np, Pu.
Physical chemistry chemical physics : PCCP, 2020, 22, 14293-14308
7240624 CIFC27 H25 N7 O15 UP 1 21/c 19.8225; 20.3779; 15.9018
90; 104.149; 90		3086.4Autillo, Matthieu; Islam, Md Ashraful; Jung, Julie; Pilmé, Julien; Galland, Nicolas; Guerin, Laetitia; Moisy, Philippe; Berthon, Claude; Tamain, Christelle; Bolvin, Hélène
Crystallographic structure and crystal field parameters in the [An<sup>IV</sup>(DPA)<sub>3</sub>]<sup>2-</sup> series, An = Th, U, Np, Pu.
Physical chemistry chemical physics : PCCP, 2020, 22, 14293-14308
7240625 CIFC27 H25 N7 Np O15P 1 21/c 19.8352; 20.3151; 15.8431
90; 103.807; 90		3074Autillo, Matthieu; Islam, Md Ashraful; Jung, Julie; Pilmé, Julien; Galland, Nicolas; Guerin, Laetitia; Moisy, Philippe; Berthon, Claude; Tamain, Christelle; Bolvin, Hélène
Crystallographic structure and crystal field parameters in the [An<sup>IV</sup>(DPA)<sub>3</sub>]<sup>2-</sup> series, An = Th, U, Np, Pu.
Physical chemistry chemical physics : PCCP, 2020, 22, 14293-14308
7240626 CIFC27 H25 N7 O15 PuP 1 21/c 19.8486; 20.3166; 15.8306
90; 103.965; 90		3073.9Autillo, Matthieu; Islam, Md Ashraful; Jung, Julie; Pilmé, Julien; Galland, Nicolas; Guerin, Laetitia; Moisy, Philippe; Berthon, Claude; Tamain, Christelle; Bolvin, Hélène
Crystallographic structure and crystal field parameters in the [An<sup>IV</sup>(DPA)<sub>3</sub>]<sup>2-</sup> series, An = Th, U, Np, Pu.
Physical chemistry chemical physics : PCCP, 2020, 22, 14293-14308
7240678 CIFC10 H9 N O2 SP 21 21 215.2044; 14.896; 25.4784
90; 90; 90		1975.21Bai, Tianwen; Shen, Bo; Cai, Da; Luo, Yifan; Zhou, Peng; Xia, Jingya; Zheng, Botuo; Zhang, Ke; Xie, Rongze; Ni, Xufeng; Xu, Maosheng; Ling, Jun; Sun, Jihong
Understanding ring-closing and racemization to prepare α-amino acid NCA and NTA monomers: a DFT study.
Physical chemistry chemical physics : PCCP, 2020, 22, 14868-14874
7240826 CIFC44 H53 Au N P SP -110.5754; 14.0285; 14.1291
106.091; 98.004; 106.36		1878.03Mihaly, Joseph J.; Phillips, Alexis T.; Stewart, David J.; Marsh, Zachary M.; McCleese, Christopher L.; Haley, Joy E.; Zeller, Matthias; Grusenmeyer, Tod A.; Gray, Thomas G.
Synthesis and photophysics of gold(i) alkynyls bearing a benzothiazole-2,7-fluorenyl moiety: a comparative study analyzing influence of ancillary ligand, bridging moiety, and number of metal centers on photophysical properties.
Physical chemistry chemical physics : PCCP, 2020, 22, 11915-11927
7240827 CIFC44 H35 Au N P SP -18.7524; 13.692; 16.4993
114.397; 90.4473; 103.778		1736.22Mihaly, Joseph J.; Phillips, Alexis T.; Stewart, David J.; Marsh, Zachary M.; McCleese, Christopher L.; Haley, Joy E.; Zeller, Matthias; Grusenmeyer, Tod A.; Gray, Thomas G.
Synthesis and photophysics of gold(i) alkynyls bearing a benzothiazole-2,7-fluorenyl moiety: a comparative study analyzing influence of ancillary ligand, bridging moiety, and number of metal centers on photophysical properties.
Physical chemistry chemical physics : PCCP, 2020, 22, 11915-11927
7240828 CIFC53.78 H57.57 Au Cl1.57 N3 SP 21 21 2115.0586; 17.686; 19.2675
90; 90; 90		5131.4Mihaly, Joseph J.; Phillips, Alexis T.; Stewart, David J.; Marsh, Zachary M.; McCleese, Christopher L.; Haley, Joy E.; Zeller, Matthias; Grusenmeyer, Tod A.; Gray, Thomas G.
Synthesis and photophysics of gold(i) alkynyls bearing a benzothiazole-2,7-fluorenyl moiety: a comparative study analyzing influence of ancillary ligand, bridging moiety, and number of metal centers on photophysical properties.
Physical chemistry chemical physics : PCCP, 2020, 22, 11915-11927
7240937 CIFCl4 H12 N4 Pt2P 4/m n c8.97809; 8.97809; 6.4585
90; 90; 90		520.59Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil
Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.
Physical chemistry chemical physics : PCCP, 2020, 22, 17668-17676
7240938 CIFCl4 H12 N4 Pt2P 4/m n c8.7712; 8.7712; 6.2436
90; 90; 90		480.34Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil
Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.
Physical chemistry chemical physics : PCCP, 2020, 22, 17668-17676
7240939 CIFCl4 H12 N4 Pt2P 4/m n c8.9435; 8.9435; 6.4253
90; 90; 90		513.94Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil
Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.
Physical chemistry chemical physics : PCCP, 2020, 22, 17668-17676
7240940 CIFCl4 H12 N4 Pt2P 4/m n c8.7949; 8.7949; 6.273
90; 90; 90		485.22Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil
Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.
Physical chemistry chemical physics : PCCP, 2020, 22, 17668-17676
7240941 CIFCl4 H12 N4 Pt2P 4/m n c8.7425; 8.7425; 6.2161
90; 90; 90		475.1Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil
Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.
Physical chemistry chemical physics : PCCP, 2020, 22, 17668-17676
7240942 CIFCl4 H12 N4 Pt2P 4/m n c8.8591; 8.8591; 6.3339
90; 90; 90		497.11Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil
Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.
Physical chemistry chemical physics : PCCP, 2020, 22, 17668-17676
7240943 CIFCl4 H12 N4 Pt2P 4/m n c8.8963; 8.8963; 6.3753
90; 90; 90		504.57Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil
Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.
Physical chemistry chemical physics : PCCP, 2020, 22, 17668-17676
7240944 CIFCl4 H12 N4 Pt2P 4/m n c8.722; 8.722; 6.1933
90; 90; 90		471.14Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil
Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.
Physical chemistry chemical physics : PCCP, 2020, 22, 17668-17676
7240945 CIFCl4 H12 N4 Pt2P 4/m n c8.6076; 8.6076; 6.0602
90; 90; 90		449Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil
Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.
Physical chemistry chemical physics : PCCP, 2020, 22, 17668-17676
7240946 CIFCl4 H12 N4 Pt2P 4/m n c8.6538; 8.6538; 6.122
90; 90; 90		458.47Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil
Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.
Physical chemistry chemical physics : PCCP, 2020, 22, 17668-17676
7240947 CIFC4 H20 Cl4 N4 Pt2P 4/m n c10.3266; 10.3266; 6.4805
90; 90; 90		691.07Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil
Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.
Physical chemistry chemical physics : PCCP, 2020, 22, 17668-17676
7240948 CIFC4 H20 Cl4 N4 Pt2P 4/m n c10.3078; 10.3078; 6.4712
90; 90; 90		687.57Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil
Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.
Physical chemistry chemical physics : PCCP, 2020, 22, 17668-17676
7240949 CIFC4 H20 Cl4 N4 Pt2P 4/m n c10.35151; 10.35151; 6.4977
90; 90; 90		696.25Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil
Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.
Physical chemistry chemical physics : PCCP, 2020, 22, 17668-17676
7240950 CIFC4 H20 Cl4 N4 Pt2P 4/m n c10.1452; 10.1452; 6.3581
90; 90; 90		654.41Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil
Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.
Physical chemistry chemical physics : PCCP, 2020, 22, 17668-17676
7240951 CIFC4 H20 Cl4 N4 Pt2P 4/m n c10.0908; 10.0908; 6.3306
90; 90; 90		644.6Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil
Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.
Physical chemistry chemical physics : PCCP, 2020, 22, 17668-17676
7240952 CIFC4 H20 Cl4 N4 Pt2P 4/m n c10.056; 10.056; 6.32
90; 90; 90		639.1Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil
Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.
Physical chemistry chemical physics : PCCP, 2020, 22, 17668-17676
7240953 CIFC4 H20 Cl4 N4 Pt2P 4/m n c10.1964; 10.1964; 6.3876
90; 90; 90		664.1Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil
Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.
Physical chemistry chemical physics : PCCP, 2020, 22, 17668-17676
7240954 CIFC4 H20 Cl4 N4 Pt2P 4/m n c10.2482; 10.2482; 6.4309
90; 90; 90		675.41Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil
Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.
Physical chemistry chemical physics : PCCP, 2020, 22, 17668-17676
7240975 CIFC23 H15 N3P 1 21/c 18.4001; 27.6987; 7.49
90; 99.621; 90		1718.2Liu, Yan; Li, Aisen; Ma, Zhimin; Xu, Weiqing; Ma, Zhiyong; Jia, Xinru
Multicolored fluorescence variation of a new carbazole-based AIEE molecule by external stimuli.
Physical chemistry chemical physics : PCCP, 2020, 22, 19195-19201
7241040 CIFC34 H24 O2P 1 21/n 16.0757; 16.4664; 11.9301
90; 98.44; 90		1180.62Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis
Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism.
Physical chemistry chemical physics : PCCP, 2020, 22, 19855-19863
7241041 CIFC34 H24 O2P -110.3715; 10.426; 12.2917
92.1911; 108.336; 108.655		1181.03Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis
Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism.
Physical chemistry chemical physics : PCCP, 2020, 22, 19855-19863
7241042 CIFC41 H32 O2C 1 2/c 131.5547; 6.137; 17.2488
90; 119.126; 90		2917.9Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis
Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism.
Physical chemistry chemical physics : PCCP, 2020, 22, 19855-19863
7241043 CIFC34 H24 O2P 1 21 16.0678; 16.401; 11.9151
90; 98.556; 90		1172.6Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis
Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism.
Physical chemistry chemical physics : PCCP, 2020, 22, 19855-19863
7241044 CIFC40 H29 Cl O2C 1 2/c 131.3116; 6.1363; 17.3304
90; 118.835; 90		2917Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis
Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism.
Physical chemistry chemical physics : PCCP, 2020, 22, 19855-19863
7241108 CIFC24 H28 Cl4 N4 O4P 1 21/c 19.8228; 15.994; 18.5143
90; 104.008; 90		2822.2Barbero, Héctor; Meunier, Antoine; Kotturi, Kondalarao; Smith, Ashton; Kyritsakas, Nathalie; Killmeyer, Adam; Rabbani, Ramin; Nazimuddin, Md; Masson, Eric
Counterintuitive torsional barriers controlled by hydrogen bonding.
Physical chemistry chemical physics : PCCP, 2020, 22, 20602-20611
7241109 CIFC24 H26 O6P -19.6496; 12.0424; 19.8345
81.278; 82.463; 70.074		2134Barbero, Héctor; Meunier, Antoine; Kotturi, Kondalarao; Smith, Ashton; Kyritsakas, Nathalie; Killmeyer, Adam; Rabbani, Ramin; Nazimuddin, Md; Masson, Eric
Counterintuitive torsional barriers controlled by hydrogen bonding.
Physical chemistry chemical physics : PCCP, 2020, 22, 20602-20611
7241148 CIFC19 H21 B O3P 1 21/n 16.3536; 11.4414; 23.5584
90; 92.688; 90		1710.67Che, Weilong; Gong, Yanbin; Tu, Liangjing; Han, Mengmeng; Li, Xiaoning; Xie, Yujun; Li, Zhen
Elucidation of distinct fluorescence and room-temperature phosphorescence of organic polymorphs from benzophenone-borate derivatives.
Physical chemistry chemical physics : PCCP, 2020, 22, 21445-21452
7241149 CIFC19 H21 B O3P 1 21/n 16.27903; 10.62604; 25.7596
90; 91.8497; 90		1717.82Che, Weilong; Gong, Yanbin; Tu, Liangjing; Han, Mengmeng; Li, Xiaoning; Xie, Yujun; Li, Zhen
Elucidation of distinct fluorescence and room-temperature phosphorescence of organic polymorphs from benzophenone-borate derivatives.
Physical chemistry chemical physics : PCCP, 2020, 22, 21445-21452
7241150 CIFC19 H21 B O3P 1 21/c 112.4558; 12.11252; 12.7411
90; 113.325; 90		1765.16Che, Weilong; Gong, Yanbin; Tu, Liangjing; Han, Mengmeng; Li, Xiaoning; Xie, Yujun; Li, Zhen
Elucidation of distinct fluorescence and room-temperature phosphorescence of organic polymorphs from benzophenone-borate derivatives.
Physical chemistry chemical physics : PCCP, 2020, 22, 21445-21452
7241151 CIFC19 H21 B O3P 1 21/c 18.73519; 9.35255; 21.1327
90; 101.428; 90		1692.23Che, Weilong; Gong, Yanbin; Tu, Liangjing; Han, Mengmeng; Li, Xiaoning; Xie, Yujun; Li, Zhen
Elucidation of distinct fluorescence and room-temperature phosphorescence of organic polymorphs from benzophenone-borate derivatives.
Physical chemistry chemical physics : PCCP, 2020, 22, 21445-21452
7241237 CIFC11 H13 N5 O5 S2C 1 2/c 128.8618; 7.5904; 14.3121
90; 104.306; 90		3038.2Manin, Alex N.; Drozd, Ksenia V.; Surov, Artem O.; Churakov, Andrei V.; Volkova, Tatyana V.; Perlovich, German L.
Identification of a previously unreported co-crystal form of acetazolamide: a combination of multiple experimental and virtual screening methods.
Physical chemistry chemical physics : PCCP, 2020, 22, 20867-20879
7241296 CIFC20 H11 F3 N3 OP 1 21/n 17.5809; 19.0996; 11.1263
90; 104.022; 90		1563Hande, Aniket A.; Darrigan, Clovis; Bartos, Paulina; Baylère, Patrick; Pietrzak, Anna; Kaszyński, Piotr; Chrostowska, Anna
UV-photoelectron spectroscopy of stable radicals: the electronic structure of planar Blatter radicals as materials for organic electronics.
Physical chemistry chemical physics : PCCP, 2020, 22, 23637-23644
7241361 CIFC42 H20 B F24 S8P 1 21/c 110.1692; 22.6293; 20.9402
90; 91.6312; 90		4816.8Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.
Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.
Physical chemistry chemical physics : PCCP, 2020, 22, 25054-25065
7241362 CIFC7 H10 B11 Br6 S4P 1 21/m 18.1423; 13.7726; 10.2776
90; 92.209; 90		1151.68Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.
Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.
Physical chemistry chemical physics : PCCP, 2020, 22, 25054-25065
7241363 CIFC85 H50 B2 Cl2 F48 Se8P -113.8745; 14.2009; 26.1484
93.003; 99.251; 106.843		4840.1Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.
Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.
Physical chemistry chemical physics : PCCP, 2020, 22, 25054-25065
7241364 CIFC42 H24 B F24 Se4P -110.4486; 14.0122; 15.7753
89.036; 83.401; 81.206		2267.35Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.
Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.
Physical chemistry chemical physics : PCCP, 2020, 22, 25054-25065
7241365 CIFC23 H44 B11 S8P -114.9617; 15.7799; 17.0816
111.658; 101.268; 94.4328		3626.2Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.
Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.
Physical chemistry chemical physics : PCCP, 2020, 22, 25054-25065
7241366 CIFC12 H16 B11 Br6 Cl2 S8P 1 21/c 111.0183; 11.7862; 26.111
90; 92.046; 90		3388.7Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.
Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.
Physical chemistry chemical physics : PCCP, 2020, 22, 25054-25065
7241367 CIFC11 H18 B11 Br6 Se4P 1 21/c 18.8819; 21.3136; 15.0603
90; 92.345; 90		2848.6Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.
Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.
Physical chemistry chemical physics : PCCP, 2020, 22, 25054-25065
7241368 CIFC70 H146 B33 Cl2 Se12P 1 21/c 19.1263; 74.893; 15.658
90; 104.505; 90		10361Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.
Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.
Physical chemistry chemical physics : PCCP, 2020, 22, 25054-25065
7241369 CIFC11 H18 B11 Br6 S4P 1 21/c 19.0536; 20.5662; 15.0317
90; 96.2939; 90		2782Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.
Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.
Physical chemistry chemical physics : PCCP, 2020, 22, 25054-25065
7241370 CIFC23 H48 B11 S4P -19.0883; 9.2043; 10.2496
83.788; 76.145; 85.976		826.7Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.
Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.
Physical chemistry chemical physics : PCCP, 2020, 22, 25054-25065
7241380 CIFC12 H30 Cl14 N4 O4 W6P 1 21/n 110.6059; 10.3846; 17.1139
90; 96.948; 90		1871.05Kolesov, Boris A.; Chupina, Anastasia V.; Berezin, Alexey S.; Kompankov, Nikolay B.; Abramov, Pavel A.; Sokolov, Maxim N.
Proton motion inside [(DMF)<sub>2</sub>H]<sub>2</sub>[W<sub>6</sub>Cl<sub>14</sub>]: structural, Raman and luminescence studies.
Physical chemistry chemical physics : PCCP, 2020, 22, 25344-25352
7241381 CIFC12 H30 Cl14 N4 O4 W6P 1 21/n 110.6198; 10.3883; 17.0912
90; 97.256; 90		1870.4Kolesov, Boris A.; Chupina, Anastasia V.; Berezin, Alexey S.; Kompankov, Nikolay B.; Abramov, Pavel A.; Sokolov, Maxim N.
Proton motion inside [(DMF)<sub>2</sub>H]<sub>2</sub>[W<sub>6</sub>Cl<sub>14</sub>]: structural, Raman and luminescence studies.
Physical chemistry chemical physics : PCCP, 2020, 22, 25344-25352
7241382 CIFC12 H30 Cl14 N4 O4 W6P 1 21/n 110.892; 10.536; 17.354
90; 98.397; 90		1970.2Kolesov, Boris A.; Chupina, Anastasia V.; Berezin, Alexey S.; Kompankov, Nikolay B.; Abramov, Pavel A.; Sokolov, Maxim N.
Proton motion inside [(DMF)<sub>2</sub>H]<sub>2</sub>[W<sub>6</sub>Cl<sub>14</sub>]: structural, Raman and luminescence studies.
Physical chemistry chemical physics : PCCP, 2020, 22, 25344-25352
7241650 CIFC14 H17 F6 O P RuP 21 21 219.5873; 12.2766; 12.9471
90; 90; 90		1523.87Mochida, Tomoyuki; Sumitani, Ryo; Yamazoe, Tomoaki
Thermal properties, crystal structures, and phase diagrams of ionic plastic crystals and ionic liquids containing a chiral cationic sandwich complex.
Physical chemistry chemical physics : PCCP, 2020, 22, 25803-25810
7241651 CIFC15 H29 B11 O RuP 1 21/c 19.59; 22.809; 9.636
90; 94.756; 90		2100.5Mochida, Tomoyuki; Sumitani, Ryo; Yamazoe, Tomoaki
Thermal properties, crystal structures, and phase diagrams of ionic plastic crystals and ionic liquids containing a chiral cationic sandwich complex.
Physical chemistry chemical physics : PCCP, 2020, 22, 25803-25810
7241652 CIFC15 H29 B11 O RuP -18.7042; 10.1448; 12.0722
99.046; 95.893; 96.477		1038.1Mochida, Tomoyuki; Sumitani, Ryo; Yamazoe, Tomoaki
Thermal properties, crystal structures, and phase diagrams of ionic plastic crystals and ionic liquids containing a chiral cationic sandwich complex.
Physical chemistry chemical physics : PCCP, 2020, 22, 25803-25810
7241701 CIFC27 H41 Cu F6 N2 O1.5 SbR 3 c :H27.8; 27.8; 21.5997
90; 90; 120		14456.7Muñoz-Castro, Alvaro; Wang, Guocang; Ponduru, Tharun Teja; Dias, H. V. Rasika
Synthesis and characterization of N-heterocyclic carbene-MOEt<sub>2</sub> complexes (M = Cu, Ag, Au). Analysis of solvated auxiliary-ligand free [(NHC)M]<sup>+</sup> species.
Physical chemistry chemical physics : PCCP, 2021, 23, 1577-1583
7241702 CIFC22 H37 Au F6 N O SbP b c a12.932; 16.4501; 24.4593
90; 90; 90		5203.3Muñoz-Castro, Alvaro; Wang, Guocang; Ponduru, Tharun Teja; Dias, H. V. Rasika
Synthesis and characterization of N-heterocyclic carbene-MOEt<sub>2</sub> complexes (M = Cu, Ag, Au). Analysis of solvated auxiliary-ligand free [(NHC)M]<sup>+</sup> species.
Physical chemistry chemical physics : PCCP, 2021, 23, 1577-1583
7241703 CIFC22 H37 Cu F6 N O SbP 1 21/c 18.4439; 11.196; 27.3426
90; 97.227; 90		2564.38Muñoz-Castro, Alvaro; Wang, Guocang; Ponduru, Tharun Teja; Dias, H. V. Rasika
Synthesis and characterization of N-heterocyclic carbene-MOEt<sub>2</sub> complexes (M = Cu, Ag, Au). Analysis of solvated auxiliary-ligand free [(NHC)M]<sup>+</sup> species.
Physical chemistry chemical physics : PCCP, 2021, 23, 1577-1583
7241704 CIFC12 H17 N O2 SP 21 21 216.27149; 13.8374; 14.1502
90; 90; 90		1227.97Scholten, Kevin; Engelage, Elric; Merten, Christian
Basis set dependence of S[double bond, length as m-dash]O stretching frequencies and its consequences for IR and VCD spectra predictions.
Physical chemistry chemical physics : PCCP, 2020, 22, 27979-27986
7242120 CIFC23 H34 Br I2 NP 1 21/m 17.8843; 14.5796; 11.56
90; 97.065; 90		1318.73González, Lucia; Graus, Sara; Gaspar, Blanca; Espasa, Sheila; Velázquez-Campoy, Adrián; Munarriz, Julen; Serrano, José Luis; Tejedor, Rosa M.; Uriel, Santiago
Interplay between non-covalent interactions in 1D supramolecular polymers based on 1,4-bis(iodoethynyl)benzene.
Physical chemistry chemical physics : PCCP, 2021, 23, 3531-3542

Blue left arrow Blue left arrow First | Blue left arrow Previous 500 | of 3 | Next 500 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

Back to the search form
Your own data is not in the COD? Deposit it, thanks!
Top of the page
All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License . Users of the data should acknowledge the original authors of the structural data.