Crystallography Open Database

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7219029 CIFC13 H24 K N O6 SP 1 21/c 18.182; 14.222; 7.709
90; 98.717; 90		886.7Mandai, Toshihiko; Tsuzuki, Seiji; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi
Pentaglyme-K salt binary mixtures: phase behavior, solvate structures, and physicochemical properties.
Physical chemistry chemical physics : PCCP, 2015, 17, 2838-2849
7219056 CIFC48 H48 N6P 1 21/n 19.85327; 11.5888; 34.7326
90; 95.691; 90		3946.48Abate, Antonio; Planells, Miquel; Hollman, Derek J.; Barthi, Vishal; Chand, Suresh; Snaith, Henry J.; Robertson, Neil
Hole-transport materials with greatly-differing redox potentials give efficient TiO2-[CH3NH3][PbX3] perovskite solar cells.
Physical chemistry chemical physics : PCCP, 2015, 17, 2335-2338
7219096 CIFC3 H7 N O2P 21 21 216.8141; 7.9189; 8.5887
90; 90; 90		463.45Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.
Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.
Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543
7219097 CIFC3 H7 N O2P 21 21 216.797; 7.9162; 8.5951
90; 90; 90		462.47Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.
Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.
Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543
7219098 CIFC3 H7 N O2P 21 21 216.7737; 7.917; 8.5989
90; 90; 90		461.14Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.
Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.
Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543
7219099 CIFC3 H7 N O2P 21 21 216.7518; 7.9135; 8.6022
90; 90; 90		459.62Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.
Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.
Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543
7219100 CIFC3 H7 N O2P 21 21 216.7285; 7.9107; 8.6056
90; 90; 90		458.05Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.
Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.
Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543
7219101 CIFC3 H7 N O2P 21 21 216.7099; 7.909; 8.6098
90; 90; 90		456.91Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.
Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.
Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543
7219102 CIFC3 H7 N O2P 21 21 216.6925; 7.9071; 8.6136
90; 90; 90		455.82Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.
Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.
Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543
7219103 CIFC3 H7 N O2P 21 21 216.6768; 7.9039; 8.6154
90; 90; 90		454.66Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.
Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.
Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543
7219104 CIFC3 H7 N O2P 21 21 216.6605; 7.9; 8.617
90; 90; 90		453.41Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.
Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.
Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543
7219105 CIFC5 H11 N O2P n m a14.5652; 6.8755; 6.1405
90; 90; 90		614.93Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.
Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.
Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543
7219106 CIFC5 H11 N O2P n m a14.5609; 6.8598; 6.129
90; 90; 90		612.19Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.
Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.
Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543
7219107 CIFC5 H11 N O2P n m a14.5561; 6.8446; 6.1179
90; 90; 90		609.53Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.
Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.
Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543
7219108 CIFC5 H11 N O2P n m a14.5514; 6.8288; 6.1066
90; 90; 90		606.8Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.
Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.
Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543
7219109 CIFC5 H11 N O2P n m a14.5449; 6.8144; 6.0963
90; 90; 90		604.23Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.
Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.
Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543
7219110 CIFC5 H11 N O2P n m a14.5416; 6.8003; 6.0871
90; 90; 90		601.94Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.
Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.
Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543
7219111 CIFC5 H11 N O2P n m a14.5379; 6.7879; 6.0772
90; 90; 90		599.71Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.
Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.
Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543
7219112 CIFC5 H11 N O2P n m a14.534; 6.777; 6.0668
90; 90; 90		597.56Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.
Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.
Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543
7219113 CIFC5 H11 N O2P n m a14.5314; 6.7663; 6.0577
90; 90; 90		595.62Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.
Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.
Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543
7219138 CIFAg Er0.02 Li Mo4 O16 Yb1.98I -45.151716; 5.151716; 11.26442
90; 90; 90		298.96Cheng, Fangrui; Xia, Zhiguo; Jing, Xiping; Wang, Ziyuan
Li/Ag ratio dependent structure and upconversion photoluminescence of LixAg1-xYb0.99(MoO4)2:0.01Er(3+) phosphors.
Physical chemistry chemical physics : PCCP, 2015, 17, 3689-3696
7219160 CIFC32 H18 F4 N4 O4P -16.8078; 10.6592; 10.84
61.373; 71.958; 84.063		655.6Rudloff, Milan; Ackermann, Kai; Huth, Michael; Jeschke, Harald O.; Tomic, Milan; Valentí, Roser; Wolfram, Benedikt; Bröring, Martin; Bolte, Michael; Chercka, Dennis; Baumgarten, Martin; Müllen, Klaus
Charge transfer tuning by chemical substitution and uniaxial pressure in the organic complex tetramethoxypyrene-tetracyanoquinodimethane.
Physical chemistry chemical physics : PCCP, 2015, 17, 4118-4126
7219187 CIFC29 H48 Br N5 O3P -18.0979; 10.1206; 20.3102
78.159; 88.1; 69.662		1526.23Wuckert, Eugen; Harjung, Marc D.; Kapernaum, Nadia; Mueller, Carsten; Frey, Wolfgang; Baro, Angelika; Giesselmann, Frank; Laschat, Sabine
Photoresponsive ionic liquid crystals based on azobenzene guanidinium salts.
Physical chemistry chemical physics : PCCP, 2015, 17, 8382-8392
7219188 CIFC31 H48 Cl7 N5 O2P 1 21/c 19.7566; 9.1438; 42.575
90; 91.25; 90		3797.3Wuckert, Eugen; Harjung, Marc D.; Kapernaum, Nadia; Mueller, Carsten; Frey, Wolfgang; Baro, Angelika; Giesselmann, Frank; Laschat, Sabine
Photoresponsive ionic liquid crystals based on azobenzene guanidinium salts.
Physical chemistry chemical physics : PCCP, 2015, 17, 8382-8392
7219328 CIFC13 H28 Br3 Cl N2 O2P 1 21/n 116.0589; 13.638; 18.3496
90; 95.258; 90		4001.9Rosokha, Sergiy V.; Traversa, Alfredo
From charge transfer to electron transfer in halogen-bonded complexes of electrophilic bromocarbons with halide anions.
Physical chemistry chemical physics : PCCP, 2015, 17, 4989-4999
7219329 CIFC13 H28 Br3 F I NP n a 2133.76; 8.427; 14.421
90; 90; 90		4103Rosokha, Sergiy V.; Traversa, Alfredo
From charge transfer to electron transfer in halogen-bonded complexes of electrophilic bromocarbons with halide anions.
Physical chemistry chemical physics : PCCP, 2015, 17, 4989-4999
7219330 CIFC14 H28 Br3 I N2P 1 21/n 18.5118; 18.3083; 13.3813
90; 97.315; 90		2068.32Rosokha, Sergiy V.; Traversa, Alfredo
From charge transfer to electron transfer in halogen-bonded complexes of electrophilic bromocarbons with halide anions.
Physical chemistry chemical physics : PCCP, 2015, 17, 4989-4999
7219575 CIFC46 H64 O4 S2P 1 21/c 18.972; 17.266; 14.26
90; 94.66; 90		2201.7Colella, L.; Brambilla, L.; Nardone, V.; Parisini, E.; Castiglioni, C.; Bertarelli, C.
Outside rules inside: the role of electron-active substituents in thiophene-based heterophenoquinones.
Physical chemistry chemical physics : PCCP, 2015, 17, 10426-10437
7219632 CIFC53 H89 Cl3 N26 O24P 1 21 114.6268; 18.3253; 15.3798
90; 118.011; 90		3639.5Xiao, Xin; Gao, Zhong-Zheng; Shan, Cheng-Long; Tao, Zhu; Zhu, Qian-Jiang; Xue, Sai-Feng; Liu, Jing-Xin
Encapsulation of haloalkane 1-(3-chlorophenyl)-4-(3-chloropropyl)-piperazinium in symmetrical α,α',δ,δ'-tetramethyl-cucurbit[6]uril.
Physical chemistry chemical physics : PCCP, 2015, 17, 8618-8621
7219831 CIFC20 H19 B F2 N2 O2P -18.3643; 9.794; 11.596
79.79; 71.08; 87.2		884.4Luo, Geng-Geng; Lu, Hui; Zhang, Xiao-Long; Dai, Jing-Cao; Wu, Ji-Huai; Wu, Jia-Jia
The relationship between the boron dipyrromethene (BODIPY) structure and the effectiveness of homogeneous and heterogeneous solar hydrogen-generating systems as well as DSSCs.
Physical chemistry chemical physics : PCCP, 2015, 17, 9716-9729
7219832 CIFC20 H17 B F2 I2 N2 O2P -17.747; 10.414; 14.007
91.746; 105.965; 91.149		1085.5Luo, Geng-Geng; Lu, Hui; Zhang, Xiao-Long; Dai, Jing-Cao; Wu, Ji-Huai; Wu, Jia-Jia
The relationship between the boron dipyrromethene (BODIPY) structure and the effectiveness of homogeneous and heterogeneous solar hydrogen-generating systems as well as DSSCs.
Physical chemistry chemical physics : PCCP, 2015, 17, 9716-9729
7219833 CIFC21 H19 B F2 I2 N2 O2P -110.0744; 10.408; 11.805
69.844; 85.884; 68.191		1076.58Luo, Geng-Geng; Lu, Hui; Zhang, Xiao-Long; Dai, Jing-Cao; Wu, Ji-Huai; Wu, Jia-Jia
The relationship between the boron dipyrromethene (BODIPY) structure and the effectiveness of homogeneous and heterogeneous solar hydrogen-generating systems as well as DSSCs.
Physical chemistry chemical physics : PCCP, 2015, 17, 9716-9729
7219903 CIFB5 H3 O11 Sr2C 1 2 110.2342; 8.024; 6.3898
90; 127.882; 90		414.15Zhang, Fangyuan; Zhang, Fangfang; Qun, Jing; Pan, Shilie; Yang, Zhihua; Jia, Dianzeng
Synthesis, characterization and theoretical studies of nonlinear optical crystal Sr2B5O9(OH)·H2O.
Physical chemistry chemical physics : PCCP, 2015, 17, 10489-10496
7219973 CIFC12 H10 O2.4P 1 21/n 115.074; 3.9014; 17.001
90; 110.532; 90		936.3Manolova, Y.; Kurteva, V.; Antonov, L.; Marciniak, H.; Lochbrunner, S.; Crochet, A.; Fromm, K. M.; Kamounah, F. S.; Hansen, P. E.
4-Hydroxy-1-naphthaldehydes: proton transfer or deprotonation.
Physical chemistry chemical physics : PCCP, 2015, 17, 10238-10249
7220032 CIFC25 H22 N3 O S6 YbP 1 21/c 18.07021; 19.1975; 17.7338
90; 93.6245; 90		2741.96Ilichev, Vasily A.; Pushkarev, Anatoly P.; Rumyantcev, Roman V.; Yablonskiy, Artem N.; Balashova, Tatyana V.; Fukin, Georgy K.; Grishin, Dmitry F.; Andreev, Boris A.; Bochkarev, Mikhail N.
Luminescent properties of 2-mercaptobenzothiazolates of trivalent lanthanides.
Physical chemistry chemical physics : PCCP, 2015, 17, 11000-11005
7220415 CIFC4 H4 N8P 1 21/n 14.9579; 6.4613; 10.181
90; 92.28; 90		325.88Wu, L.-C.; Chung, W.-C.; Wang, C.-C.; Lee, G.-H.; Lu, S.-I.; Wang, Y.
A charge density study of π-delocalization and intermolecular interactions.
Physical chemistry chemical physics : PCCP, 2015, 17, 14177-14184
7220416 CIFC26 H18 O4P -13.8538; 10.179; 13
97.18; 96.03; 100.6		493Arendt, Agata; Kołkowski, Radosław; Samoc, Marek; Szafert, Sławomir
Spectral dependence of nonlinear optical properties of symmetrical octatetraynes with p-substituted phenyl end-groups.
Physical chemistry chemical physics : PCCP, 2015, 17, 13680-13688
7220417 CIFC24 H14 O4C 1 2/c 140.449; 3.8627; 11.605
90; 94.87; 90		1806.6Arendt, Agata; Kołkowski, Radosław; Samoc, Marek; Szafert, Sławomir
Spectral dependence of nonlinear optical properties of symmetrical octatetraynes with p-substituted phenyl end-groups.
Physical chemistry chemical physics : PCCP, 2015, 17, 13680-13688
7220418 CIFC11 H18 F6 N2 O5 S2P -114.282; 17.055; 17.128
60.5; 82.665; 89.096		3596.1Yao, Wenzhi; Kelley, Steven P.; Rogers, Robin D.; Vaid, Thomas P.
Electrical conductivity in two mixed-valence liquids.
Physical chemistry chemical physics : PCCP, 2015, 17, 14107-14114
7220453 CIFC77 H67 Cl2 N5 ZnP 1 21/a 117.737; 18.295; 19.069
90; 92.168; 90		6183.4Saegusa, Yuta; Ishizuka, Tomoya; Komamura, Keiyu; Shimizu, Soji; Kotani, Hiroaki; Kobayashi, Nagao; Kojima, Takahiko
Ring-fused porphyrins: extension of π-conjugation significantly affects the aromaticity and optical properties of the porphyrin π-systems and the Lewis acidity of the central metal ions.
Physical chemistry chemical physics : PCCP, 2015, 17, 15001-15011
7220454 CIFC71 H76 N4 O5 ZnP 1 21/a 119.126; 17.2247; 19.215
90; 93.303; 90		6319.7Saegusa, Yuta; Ishizuka, Tomoya; Komamura, Keiyu; Shimizu, Soji; Kotani, Hiroaki; Kobayashi, Nagao; Kojima, Takahiko
Ring-fused porphyrins: extension of π-conjugation significantly affects the aromaticity and optical properties of the porphyrin π-systems and the Lewis acidity of the central metal ions.
Physical chemistry chemical physics : PCCP, 2015, 17, 15001-15011
7220455 CIFC53 H21 F12 N5 ZnP -116.724; 16.971; 20.045
107.054; 107.58; 105.011		4793Saegusa, Yuta; Ishizuka, Tomoya; Komamura, Keiyu; Shimizu, Soji; Kotani, Hiroaki; Kobayashi, Nagao; Kojima, Takahiko
Ring-fused porphyrins: extension of π-conjugation significantly affects the aromaticity and optical properties of the porphyrin π-systems and the Lewis acidity of the central metal ions.
Physical chemistry chemical physics : PCCP, 2015, 17, 15001-15011
7220526 CIFCu2 Se4 Sn ZnI -4 2 m5.69647; 5.69647; 11.3394
90; 90; 90		367.961Choubrac, Léo; Lafond, Alain; Paris, Michaël; Guillot-Deudon, Catherine; Jobic, Stéphane
The stability domain of the selenide kesterite photovoltaic materials and NMR investigation of the Cu/Zn disorder in Cu2ZnSnSe4 (CZTSe).
Physical chemistry chemical physics : PCCP, 2015, 17, 15088-15092
7220573 CIFC12 H13 N3 O7P 1 21/c 110.056; 15.875; 9.709
90; 115.617; 90		1398Bera, Santu; Ambast, Deepak K. S.; Pal, Bipul; Haldar, Debasish
Assembly, growth and nonlinear thermo-optical properties of nitropeptides.
Physical chemistry chemical physics : PCCP, 2015, 17, 16983-16990
7220574 CIFC13 H13 N3 O9P 21 21 214.895; 12.127; 27.29
90; 90; 90		1620Bera, Santu; Ambast, Deepak K. S.; Pal, Bipul; Haldar, Debasish
Assembly, growth and nonlinear thermo-optical properties of nitropeptides.
Physical chemistry chemical physics : PCCP, 2015, 17, 16983-16990
7220575 CIFC14 H15 N3 O9P 21 21 218.759; 12.834; 30.603
90; 90; 90		3440Bera, Santu; Ambast, Deepak K. S.; Pal, Bipul; Haldar, Debasish
Assembly, growth and nonlinear thermo-optical properties of nitropeptides.
Physical chemistry chemical physics : PCCP, 2015, 17, 16983-16990
7220580 CIFC2 Cl2 F N SP 21 21 215.9327; 8.3874; 11.5697
90; 90; 90		575.707Berrueta Martínez, Y; Rodríguez Pirani, L S; Erben, M. F.; Reuter, C. G.; Vishnevskiy, Y. V.; Stammler, H. G.; Mitzel, N. W.; Della Védova, C O
The structure of chloromethyl thiocyanate, CH2ClSCN, in gas and crystalline phases.
Physical chemistry chemical physics : PCCP, 2015, 17, 15805-15812
7220643 CIFC35 H32 Eu F9 O11 SP -111.1497; 13.5201; 14.2594
75.358; 74.28; 83.906		2000.3Zhu, Tianyu; Chen, Peng; Li, Hongfeng; Sun, Wenbin; Gao, Ting; Yan, Pengfei
Structural effects on the photophysical properties of mono-β-diketonate and bis-β-diketonate Eu(III) complexes.
Physical chemistry chemical physics : PCCP, 2015, 17, 16136-16144
7220644 CIFC74 H66 Eu2 F18 O22 S4C 1 2/c 122.453; 23.9254; 19.4634
90; 122.737; 90		8794.9Zhu, Tianyu; Chen, Peng; Li, Hongfeng; Sun, Wenbin; Gao, Ting; Yan, Pengfei
Structural effects on the photophysical properties of mono-β-diketonate and bis-β-diketonate Eu(III) complexes.
Physical chemistry chemical physics : PCCP, 2015, 17, 16136-16144
7220700 CIFC11 H11 N5 O7P -17.3233; 9.6646; 10.3323
78.588; 80.835; 85.796		707.02Panja, Sumit Kumar; Dwivedi, Nidhi; Noothalapati, Hemanth; Shigeto, Shinsuke; Sikder, A. K.; Saha, Abhijit; Sunkari, Sailaja S.; Saha, Satyen
Significance of weak interactions in imidazolium picrate ionic liquids: spectroscopic and theoretical studies for molecular level understanding.
Physical chemistry chemical physics : PCCP, 2015, 17, 18167-18177
7220701 CIFC13 H15 N5 O7P -16.6831; 10.6065; 11.8839
73.513; 87.771; 75.787		782.59Panja, Sumit Kumar; Dwivedi, Nidhi; Noothalapati, Hemanth; Shigeto, Shinsuke; Sikder, A. K.; Saha, Abhijit; Sunkari, Sailaja S.; Saha, Satyen
Significance of weak interactions in imidazolium picrate ionic liquids: spectroscopic and theoretical studies for molecular level understanding.
Physical chemistry chemical physics : PCCP, 2015, 17, 18167-18177
7220735 CIFC30 H24 N2 Ni2 O8P 16.9472; 8.1805; 12.1722
91.1412; 103.873; 104.55		647.678Bon, Volodymyr; Klein, Nicole; Senkovska, Irena; Heerwig, Andreas; Getzschmann, Jürgen; Wallacher, Dirk; Zizak, Ivo; Brzhezinskaya, Maria; Mueller, Uwe; Kaskel, Stefan
Exceptional adsorption-induced cluster and network deformation in the flexible metal-organic framework DUT-8(Ni) observed by in situ X-ray diffraction and EXAFS.
Physical chemistry chemical physics : PCCP, 2015, 17, 17471-17479
7220736 CIFC54 H72 N2 Ni2 O8P 1 21/m 120.446; 16.4661; 9.3532
90; 94.0138; 90		3141.18Bon, Volodymyr; Klein, Nicole; Senkovska, Irena; Heerwig, Andreas; Getzschmann, Jürgen; Wallacher, Dirk; Zizak, Ivo; Brzhezinskaya, Maria; Mueller, Uwe; Kaskel, Stefan
Exceptional adsorption-induced cluster and network deformation in the flexible metal-organic framework DUT-8(Ni) observed by in situ X-ray diffraction and EXAFS.
Physical chemistry chemical physics : PCCP, 2015, 17, 17471-17479
7220737 CIFC48 H78 N2 Ni2 O8P 19.4778; 11.0657; 12.6936
101.544; 92.0654; 100.59		1278.46Bon, Volodymyr; Klein, Nicole; Senkovska, Irena; Heerwig, Andreas; Getzschmann, Jürgen; Wallacher, Dirk; Zizak, Ivo; Brzhezinskaya, Maria; Mueller, Uwe; Kaskel, Stefan
Exceptional adsorption-induced cluster and network deformation in the flexible metal-organic framework DUT-8(Ni) observed by in situ X-ray diffraction and EXAFS.
Physical chemistry chemical physics : PCCP, 2015, 17, 17471-17479
7220849 CIFC22 H18 N2I 41/a :218.225; 18.225; 9.896
90; 90; 90		3287Garg, K.; Ganapathi, E.; Rajakannu, P.; Ravikanth, M.
Stereochemical modulation of emission behaviour in E/Z isomers of diphenyldipyrroethene from aggregation induced emission to crystallization induced emission.
Physical chemistry chemical physics : PCCP, 2015, 17, 19465-19473
7220850 CIFC22 H18 N2P -18.44; 9.676; 10.316
75.506; 87.977; 79.212		801.2Garg, K.; Ganapathi, E.; Rajakannu, P.; Ravikanth, M.
Stereochemical modulation of emission behaviour in E/Z isomers of diphenyldipyrroethene from aggregation induced emission to crystallization induced emission.
Physical chemistry chemical physics : PCCP, 2015, 17, 19465-19473
7220851 CIFCa Ho0.05 La1.5 Mo4 O16 Yb0.45I 41/a :25.29961; 5.29961; 11.70466
90; 90; 90		328.736Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Aleksandr; Atuchin, Victor
The modulated structure and frequency upconversion properties of CaLa2(MoO4)4:Ho(3+)/Yb(3+) phosphors prepared by microwave synthesis.
Physical chemistry chemical physics : PCCP, 2015, 17, 19278-19287
7220852 CIFCa Ho0.05 La1.55 Mo4 O16 Yb0.4I 41/a :25.30206; 5.30206; 11.71178
90; 90; 90		329.24Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Aleksandr; Atuchin, Victor
The modulated structure and frequency upconversion properties of CaLa2(MoO4)4:Ho(3+)/Yb(3+) phosphors prepared by microwave synthesis.
Physical chemistry chemical physics : PCCP, 2015, 17, 19278-19287
7220853 CIFCa Ho0.05 La1.45 Mo4 O16 Yb0.5I 41/a :25.29843; 5.29843; 11.71297
90; 90; 90		328.822Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Aleksandr; Atuchin, Victor
The modulated structure and frequency upconversion properties of CaLa2(MoO4)4:Ho(3+)/Yb(3+) phosphors prepared by microwave synthesis.
Physical chemistry chemical physics : PCCP, 2015, 17, 19278-19287
7220854 CIFCa La2 Mo4 O16I 41/a :25.33701; 5.33701; 11.82903
90; 90; 90		336.93Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Aleksandr; Atuchin, Victor
The modulated structure and frequency upconversion properties of CaLa2(MoO4)4:Ho(3+)/Yb(3+) phosphors prepared by microwave synthesis.
Physical chemistry chemical physics : PCCP, 2015, 17, 19278-19287
7220855 CIFCa Ho0.05 La1.6 Mo4 O16 Yb0.35I 41/a :25.303003; 5.303003; 11.71619
90; 90; 90		329.481Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Aleksandr; Atuchin, Victor
The modulated structure and frequency upconversion properties of CaLa2(MoO4)4:Ho(3+)/Yb(3+) phosphors prepared by microwave synthesis.
Physical chemistry chemical physics : PCCP, 2015, 17, 19278-19287
7220885 CIFC17 H23 N3 O2P 1 21/n 16.8038; 17.311; 13.4729
90; 99.299; 90		1565.99Chatterjee, Tanmay; Mandal, Mrinal; Gude, Venkatesh; Bag, Partha Pratim; Mandal, Prasun K.
Strong electron donation induced differential nonradiative decay pathways for para and meta GFP chromophore analogues.
Physical chemistry chemical physics : PCCP, 2015, 17, 20515-20521
7220886 CIFC17 H23 N3 O2P 1 21/n 110.896; 7.886; 19.222
90; 94.135; 90		1647.4Chatterjee, Tanmay; Mandal, Mrinal; Gude, Venkatesh; Bag, Partha Pratim; Mandal, Prasun K.
Strong electron donation induced differential nonradiative decay pathways for para and meta GFP chromophore analogues.
Physical chemistry chemical physics : PCCP, 2015, 17, 20515-20521
7220887 CIFC16 H20 N2 O3P 1 21/n 17.1834; 12.7135; 16.514
90; 97.201; 90		1496.26Chatterjee, Tanmay; Mandal, Mrinal; Gude, Venkatesh; Bag, Partha Pratim; Mandal, Prasun K.
Strong electron donation induced differential nonradiative decay pathways for para and meta GFP chromophore analogues.
Physical chemistry chemical physics : PCCP, 2015, 17, 20515-20521
7220888 CIFC16 H20 N2 O3P 1 21/n 113.818; 7.428; 15.482
90; 93.055; 90		1586.8Chatterjee, Tanmay; Mandal, Mrinal; Gude, Venkatesh; Bag, Partha Pratim; Mandal, Prasun K.
Strong electron donation induced differential nonradiative decay pathways for para and meta GFP chromophore analogues.
Physical chemistry chemical physics : PCCP, 2015, 17, 20515-20521
7220917 CIFC17 H13 N O2P 1 21/n 18.804; 7.685; 21.631
90; 100.287; 90		1440Karunakaran, Venugopal; Prabhu, Deepak D.; Das, Suresh; Varughese, Sunil
Transformation of photophysical properties from solution to solid state in alkoxy-cyano-diphenylacetylene molecules.
Physical chemistry chemical physics : PCCP, 2015, 17, 18768-18779
7220981 CIFC14 H10 Br N3P 1 21/c 17.7832; 9.8765; 16.564
90; 91.056; 90		1273.1Ghosh, Pritam; Roy, Biswajit Gopal; Jana, Saibal; Mukhopadhyay, Subhra Kanti; Banerjee, Priyabrata
Colorimetric and fluorimetric response of Schiff base molecules towards fluoride anion, solution test kit fabrication, logical interpretations and DFT-D3 study.
Physical chemistry chemical physics : PCCP, 2015, 17, 20288-20295
7221650 CIFAg2 SI m -3 m4.8741; 4.8741; 4.8741
90; 90; 90		115.793Sadovnikov, S. I.; Gusev, A. I.; Rempel, A. A.
An in situ high-temperature scanning electron microscopy study of acanthite-argentite phase transformation in nanocrystalline silver sulfide powder.
Physical chemistry chemical physics : PCCP, 2015, 17, 20495-20501
7221662 CIFC23 H29 N OP 1 2/c 112.8075; 9.6355; 15.8732
90; 96.659; 90		1945.64Thériault, K D; Radford, C.; Parvez, M.; Heyne, B.; Sutherland, T. C.
Structure-property relationship of donor-acceptor acridones - an optical, electrochemical and computational study.
Physical chemistry chemical physics : PCCP, 2015, 17, 20903-20911
7221663 CIFC26 H29 N3P 1 21/a 113.2115; 9.4084; 18.0693
90; 107.007; 90		2147.78Thériault, K D; Radford, C.; Parvez, M.; Heyne, B.; Sutherland, T. C.
Structure-property relationship of donor-acceptor acridones - an optical, electrochemical and computational study.
Physical chemistry chemical physics : PCCP, 2015, 17, 20903-20911
7221877 CIFC4 H6 N4 O3 S2P -15.2819; 8.9293; 9.3525
104.658; 99.308; 99.803		410.69Thomas, Sajesh P.; Jayatilaka, Dylan; Guru Row, T. N.
SO chalcogen bonding in sulfa drugs: insights from multipole charge density and X-ray wavefunction of acetazolamide.
Physical chemistry chemical physics : PCCP, 2015, 17, 25411-25420
7222036 CIFC26 H23 Cl2 Co N6 O2P -18.924; 10.108; 14.354
91.53; 103.39; 100.48		1235.4Kamyabi, Mohammad Ali; Soleymani-Bonoti, Fatemeh; Bikas, Rahman; Hosseini-Monfared, Hassan; Arshadi, Nematollah; Siczek, Milosz; Lis, Tadeusz
Molecular oxygen reduction catalyzed by a highly oxidative resistant complex of cobalt-hydrazone at the liquid/liquid interface.
Physical chemistry chemical physics : PCCP, 2015, 17, 32161-32172
7222256 CIFC22 H22 N2 O8P 1 21/c 112.817; 7.3554; 11.1126
90; 98.49; 90		1036.15Silberstein, Katharine E.; Pastore, James P.; Zhou, Weidong; Potash, Rebecca A.; Hernández-Burgos, Kenneth; Lobkovsky, Emil B.; Abruña, Héctor D
Electrochemical lithiation-induced polymorphism of anthraquinone derivatives observed by operando X-ray diffraction.
Physical chemistry chemical physics : PCCP, 2015, 17, 27665-27671
7222399 CIFC19 H18 GeP 1 21/c 118.5689; 9.5521; 18.3723
90; 107.433; 90		3109.05Bernatowicz, Piotr; Shkurenko, Aleksander; Osior, Agnieszka; Kamieński, Bohdan; Szymański, Sławomir
A quantum mechanical alternative to the Arrhenius equation in the interpretation of proton spin-lattice relaxation data for the methyl groups in solids.
Physical chemistry chemical physics : PCCP, 2015, 17, 28866-28878
7222453 CIFC40 H51 N5 O SP -110.387; 10.78; 17.168
90.321; 95.987; 93.823		1907.4Xu, Huajun; Yang, Dan; Liu, Fenggang; Fu, Mingkai; Bo, Shuhui; Liu, Xinhou; Cao, Yuan
Nonlinear optical chromophores based on Dewar's rules: enhancement of electro-optic activity by introducing heteroatoms into the donor or bridge.
Physical chemistry chemical physics : PCCP, 2015, 17, 29679-29688
7223005 CIFC60 H54 F18 O18 S12 Yb2C 1 2/c 141.711; 11.8124; 16.553
90; 98.582; 90		8064.5Li, Bing; Li, Hongfeng; Chen, Peng; Sun, Wenbin; Wang, Cheng; Gao, Ting; Yan, Pengfei
Enhancement of near-infrared luminescence of ytterbium in triple-stranded binuclear helicates.
Physical chemistry chemical physics : PCCP, 2015, 17, 30510-30517
7223006 CIFC26 H18 F9 O7 S4 YbP 21 21 2110.914; 11.4933; 26.0098
90; 90; 90		3262.6Li, Bing; Li, Hongfeng; Chen, Peng; Sun, Wenbin; Wang, Cheng; Gao, Ting; Yan, Pengfei
Enhancement of near-infrared luminescence of ytterbium in triple-stranded binuclear helicates.
Physical chemistry chemical physics : PCCP, 2015, 17, 30510-30517
7223024 CIFC14 H15 N O3C m c 216.6923; 7.5956; 22.7742
90; 90; 90		1157.66Kanosue, Kenta; Ando, Shinji
Fluorescence emissions of imide compounds and end-capped polyimides enhanced by intramolecular double hydrogen bonds.
Physical chemistry chemical physics : PCCP, 2015, 17, 30659-30669
7223025 CIFC14 H15 N O4P -15.0909; 5.2071; 23.0054
93.826; 94.857; 98.102		599.68Kanosue, Kenta; Ando, Shinji
Fluorescence emissions of imide compounds and end-capped polyimides enhanced by intramolecular double hydrogen bonds.
Physical chemistry chemical physics : PCCP, 2015, 17, 30659-30669
7223075 CIFC22 H18 B0.5 N2.5P b c n20.669; 13.906; 12.406
90; 90; 90		3565.8Kumar, George Rajendra; Sarkar, Samir Kumar; Thilagar, Pakkirisamy
Triarylborane conjugated dicyanovinyl chromophores: intriguing optical properties and colorimetric anion discrimination.
Physical chemistry chemical physics : PCCP, 2015, 17, 30424-30432
7223076 CIFC35 H34 B N3P -18.2822; 11.668; 16.026
97.984; 94.609; 101.2		1495.3Kumar, George Rajendra; Sarkar, Samir Kumar; Thilagar, Pakkirisamy
Triarylborane conjugated dicyanovinyl chromophores: intriguing optical properties and colorimetric anion discrimination.
Physical chemistry chemical physics : PCCP, 2015, 17, 30424-30432
7223106 CIFC24 H22 N OC 1 2/c 117.6732; 7.1183; 29.6076
90; 100.828; 90		3658.4Teki, Yoshio; Miyamoto, Sadaharu; Koide, Kentaro
π-Topology and spin alignment in the photo-excited states of phenylanthracene-t-butylnitroxide radicals.
Physical chemistry chemical physics : PCCP, 2015, 17, 31646-31652
7223107 CIFC24 H22 N OP 1 21/c 18.7919; 26.2294; 8.1257
90; 103.413; 90		1822.7Teki, Yoshio; Miyamoto, Sadaharu; Koide, Kentaro
π-Topology and spin alignment in the photo-excited states of phenylanthracene-t-butylnitroxide radicals.
Physical chemistry chemical physics : PCCP, 2015, 17, 31646-31652
7223319 CIFC46 H68 N2 S2P -15.5193; 8.7116; 23.1468
84.894; 88.701; 72.509		1057.26Chen, Jianhua; Xiao, Manjun; Duan, Linrui; Wang, Qiong; Tan, Hua; Su, Ning; Liu, Yu; Yang, Renqiang; Zhu, Weiguo
Benzodi(pyridothiophene): a novel acceptor unit for application in A1-A-A1 type photovoltaic small molecules.
Physical chemistry chemical physics : PCCP, 2016, 18, 1507-1515
7223426 CIFC16 H21 Br O SiP 1 21 17.0513; 7.6501; 15.5178
90; 101.367; 90		820.66Beckmann, Peter A.; Moore, Curtis E.; Rheingold, Arnold L.
Methyl and t-butyl group rotation in a molecular solid: (1)H NMR spin-lattice relaxation and X-ray diffraction.
Physical chemistry chemical physics : PCCP, 2016, 18, 1720-1726
7223530 CIFC47 H39 NP n m a15.6323; 14.7468; 14.4198
90; 90; 90		3324.1Kuck, Dietmar; Linke, Jens; Teichmann, Lisa Christin; Barth, Dieter; Tellenbröker, Jörg; Gestmann, Detlef; Neumann, Beate; Stammler, Hans-Georg; Bögge, Hartmut
Centrohexaindane: six benzene rings mutually fixed in three dimensions - solid-state structure and six-fold nitration.
Physical chemistry chemical physics : PCCP, 2016, 18, 11722-11737
7223531 CIFC42 H25 Cl3P -18.51239; 12.4653; 14.2625
91.3139; 93.6817; 101.235		1480.35Kuck, Dietmar; Linke, Jens; Teichmann, Lisa Christin; Barth, Dieter; Tellenbröker, Jörg; Gestmann, Detlef; Neumann, Beate; Stammler, Hans-Georg; Bögge, Hartmut
Centrohexaindane: six benzene rings mutually fixed in three dimensions - solid-state structure and six-fold nitration.
Physical chemistry chemical physics : PCCP, 2016, 18, 11722-11737
7223532 CIFC45 H29P 1 21/c 18.42; 14.384; 24.107
90; 91.53; 90		2918.64Kuck, Dietmar; Linke, Jens; Teichmann, Lisa Christin; Barth, Dieter; Tellenbröker, Jörg; Gestmann, Detlef; Neumann, Beate; Stammler, Hans-Georg; Bögge, Hartmut
Centrohexaindane: six benzene rings mutually fixed in three dimensions - solid-state structure and six-fold nitration.
Physical chemistry chemical physics : PCCP, 2016, 18, 11722-11737
7223553 CIFC84 H72 N8 O19 S24P 1 21/m 110.8302; 33.4895; 13.8319
90; 99.191; 90		4952.4Xue, Li-Jun; Huo, Peng; Li, Yan-Hong; Hou, Jin-Le; Zhu, Qin-Yu; Dai, Jie
An ionic charge-transfer dyad prepared cost-effectively from a tetrathiafulvalene carboxylate anion and a TMPyP cation.
Physical chemistry chemical physics : PCCP, 2016, 18, 2940-2948
7223554 CIFC64 H52 N8 O21 S8C 1 2/c 123.6681; 22.0587; 13.2272
90; 111.589; 90		6421.3Xue, Li-Jun; Huo, Peng; Li, Yan-Hong; Hou, Jin-Le; Zhu, Qin-Yu; Dai, Jie
An ionic charge-transfer dyad prepared cost-effectively from a tetrathiafulvalene carboxylate anion and a TMPyP cation.
Physical chemistry chemical physics : PCCP, 2016, 18, 2940-2948
7223851 CIFC30 H21 F6 Mn O6R -3 :H18.583; 18.583; 14.503
90; 90; 120		4337.3Carli, Stefano; Benazzi, Elisabetta; Casarin, Laura; Bernardi, Tatiana; Bertolasi, Valerio; Argazzi, Roberto; Caramori, Stefano; Bignozzi, Carlo Alberto
On the stability of manganese tris(β-diketonate) complexes as redox mediators in DSSCs.
Physical chemistry chemical physics : PCCP, 2016, 18, 5949-5956
7223852 CIFC28 H40 Cl Mn N2 O8C 1 2/c 116.325; 17.663; 12.491
90; 115.434; 90		3252.7Carli, Stefano; Benazzi, Elisabetta; Casarin, Laura; Bernardi, Tatiana; Bertolasi, Valerio; Argazzi, Roberto; Caramori, Stefano; Bignozzi, Carlo Alberto
On the stability of manganese tris(β-diketonate) complexes as redox mediators in DSSCs.
Physical chemistry chemical physics : PCCP, 2016, 18, 5949-5956
7223853 CIFC38 H40 F4 Mn N2 O4C 1 2/c 118.2229; 19.0407; 11.7031
90; 115.785; 90		3656.4Carli, Stefano; Benazzi, Elisabetta; Casarin, Laura; Bernardi, Tatiana; Bertolasi, Valerio; Argazzi, Roberto; Caramori, Stefano; Bignozzi, Carlo Alberto
On the stability of manganese tris(β-diketonate) complexes as redox mediators in DSSCs.
Physical chemistry chemical physics : PCCP, 2016, 18, 5949-5956
7223984 CIFC60 H24 N8 O8 Zn3I 4/m m m16.679; 16.679; 17.674
90; 90; 90		4916.7Sakuma, Takao; Sakai, Hayato; Araki, Yasuyuki; Wada, Takehiko; Hasobe, Taku
Control of local structures and photophysical properties of zinc porphyrin-based supramolecular assemblies structurally organized by regioselective ligand coordination.
Physical chemistry chemical physics : PCCP, 2016, 18, 5453-5463
7223985 CIFC10 F8P 1 21/c 113.3203; 4.8791; 19.8516
90; 100.245; 90		1269.61Dobrowolski, Michał A; Cyrański, Michał K; Wróbel, Zbigniew
Cyclic π-electron delocalization in non-planar linear acenes.
Physical chemistry chemical physics : PCCP, 2016, 18, 11813-11820
7223986 CIFC10 Cl8P 1 21/n 19.7244; 7.1739; 18.2816
90; 98.317; 90		1261.9Dobrowolski, Michał A; Cyrański, Michał K; Wróbel, Zbigniew
Cyclic π-electron delocalization in non-planar linear acenes.
Physical chemistry chemical physics : PCCP, 2016, 18, 11813-11820
7223987 CIFC10 Br8P b c n11.3832; 7.8114; 16.5506
90; 90; 90		1471.66Dobrowolski, Michał A; Cyrański, Michał K; Wróbel, Zbigniew
Cyclic π-electron delocalization in non-planar linear acenes.
Physical chemistry chemical physics : PCCP, 2016, 18, 11813-11820
7223988 CIFC14 Cl10P -17.1558; 9.5084; 12.4684
75.854; 82.701; 87.954		815.95Dobrowolski, Michał A; Cyrański, Michał K; Wróbel, Zbigniew
Cyclic π-electron delocalization in non-planar linear acenes.
Physical chemistry chemical physics : PCCP, 2016, 18, 11813-11820
7224087 CIFC8 H14 O12 ZnP -15.1749; 7.2736; 9.1901
108.304; 105.213; 92.434		313.95Ruggiero, 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
7224088 CIFC8 H14 Ni O12P -15.142; 7.2793; 9.1121
108.025; 105.191; 92.14		310.38Ruggiero, 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
7224089 CIFC8 H14 Co O12P -15.1742; 7.2742; 9.2053
108.809; 105.003; 92.409		313.79Ruggiero, 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
7224090 CIFC8 H14 Fe O12P -15.2115; 7.3307; 9.2529
109.019; 105.339; 92.53		318.98Ruggiero, 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
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

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