Crystallography Open Database

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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 CIFC48 H52 O12P -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

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