Crystallography Open Database
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Result: there are 1301 entries in the selection
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Searching journal of publication like 'Physical chemistry chemical physics : PCCP'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7248741 | CIF | C12 H10 N6 O3 | P 1 21/n 1 | 7.6153; 5.7099; 26.8265 90; 90.275; 90 | 1166.5 | Christopher, Imogen L.; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A. L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole A. Tuning energetic properties through co-crystallisation - a high-pressure experimental and computational study of nitrotriazolone: 4,4'-bipyridine. Physical chemistry chemical physics : PCCP, 2024, 26, 16859-16870 |
| 7248742 | CIF | C12 H10 N6 O3 | P 1 21/n 1 | 7.9306; 5.7908; 27.809 90; 95.349; 90 | 1271.6 | Christopher, Imogen L.; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A. L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole A. Tuning energetic properties through co-crystallisation - a high-pressure experimental and computational study of nitrotriazolone: 4,4'-bipyridine. Physical chemistry chemical physics : PCCP, 2024, 26, 16859-16870 |
| 7248743 | CIF | C12 H10 N6 O3 | P 1 21/n 1 | 7.3848; 5.6634; 26.3751 90; 92.598; 90 | 1102 | Christopher, Imogen L.; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A. L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole A. Tuning energetic properties through co-crystallisation - a high-pressure experimental and computational study of nitrotriazolone: 4,4'-bipyridine. Physical chemistry chemical physics : PCCP, 2024, 26, 16859-16870 |
| 7248744 | CIF | C12 H10 N6 O3 | P 1 21/n 1 | 7.2747; 5.6382; 26.176 90; 93.556; 90 | 1071.6 | Christopher, Imogen L.; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A. L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole A. Tuning energetic properties through co-crystallisation - a high-pressure experimental and computational study of nitrotriazolone: 4,4'-bipyridine. Physical chemistry chemical physics : PCCP, 2024, 26, 16859-16870 |
| 7248745 | CIF | C12 H10 N6 O3 | P 1 21/n 1 | 7.4571; 5.6784; 26.508 90; 91.931; 90 | 1121.8 | Christopher, Imogen L.; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A. L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole A. Tuning energetic properties through co-crystallisation - a high-pressure experimental and computational study of nitrotriazolone: 4,4'-bipyridine. Physical chemistry chemical physics : PCCP, 2024, 26, 16859-16870 |
| 7248746 | CIF | C12 H10 N6 O3 | P 1 21/n 1 | 7.944; 5.7979; 27.874 90; 95.81; 90 | 1277.24 | Christopher, Imogen L.; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A. L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole A. Tuning energetic properties through co-crystallisation - a high-pressure experimental and computational study of nitrotriazolone: 4,4'-bipyridine. Physical chemistry chemical physics : PCCP, 2024, 26, 16859-16870 |
| 7248757 | CIF | Si | P -3 m 1 | 9.93653882; 9.93653882; 15.99433626 90; 90; 120 | 1367.62 | Niu, Lujie; Zhang, Rui; Zhang, Qiang; Wang, Dong; Bi, Yanlei; Wen, Guangwu; Qin, Lu-Chang Carbon-coated silicon/graphite oxide composites as anode materials for highly stable lithium-ion batteries. Physical chemistry chemical physics : PCCP, 2024, 26, 17292-17302 |
| 7248825 | CIF | C19 H7 F4 N O | P 1 21/n 1 | 6.9645; 13.1363; 14.5331 90; 93.668; 90 | 1326.88 | Deree, Yinon; Bogoslavsky, Benny; Schapiro, Igor; Gidron, Ori The photochemistry and photophysics of benzoyl-carbazole. Physical chemistry chemical physics : PCCP, 2024, 26, 18048-18053 |
| 7248904 | CIF | C14 H8 Br N O3 | P 1 21/c 1 | 4.775; 11.0709; 22.9812 90; 95.654; 90 | 1208.96 | Bhakta, Viki; Guchhait, Nikhil Switching of photoinduced proton transfer from one six-membered hydrogen-bonded ring to other: a molecule of hydrazine and pH sensor. Physical chemistry chemical physics : PCCP, 2024, 26, 19290-19301 |
| 7248990 | CIF | C20 H20 Cu2 I2 N2 O2 | I 1 2 1 | 8.6998; 13.2495; 18.6513 90; 98.923; 90 | 2123.88 | Mojica, R.; Vázquez, M C; Torres, A. E.; Avila, Y.; Borja-Urby, R; Rodríguez-Hernández, J; Reguera, E. A first principles study of the electronic structure and optical response of heterobimetallic M-dicyanoaurate-based coordination polymers (M = Mn, Co, Ni, Zn and Cd). Physical chemistry chemical physics : PCCP, 2024, 26, 20576-20584 |
| 7248991 | CIF | C6 Au3 Cd K N6 | P 3 1 2 | 6.8645; 6.8645; 8.2138 90; 90; 120 | 335.19 | Mojica, R.; Vázquez, M C; Torres, A. E.; Avila, Y.; Borja-Urby, R; Rodríguez-Hernández, J; Reguera, E. A first principles study of the electronic structure and optical response of heterobimetallic M-dicyanoaurate-based coordination polymers (M = Mn, Co, Ni, Zn and Cd). Physical chemistry chemical physics : PCCP, 2024, 26, 20576-20584 |
| 7249042 | CIF | C56 H54 N4 O2 S | P -1 | 12.2872; 12.8272; 15.3688 96.23; 91.199; 114.121 | 2192.03 | Polesiak, Emilia; Makowska-Janusik, Malgorzata; Drapala, Jakub; Zagorska, Malgorzata; Banasiewicz, Marzena; Kozankiewicz, Boleslaw; Kulszewicz-Bajer, Irena; Pron, Adam Photophysical and redox properties of new donor-acceptor-donor (DAD) compounds containing benzothiadiazole (A) and dimethyldihydroacridine (D) units: a combined experimental and theoretical study. Physical chemistry chemical physics : PCCP, 2024, 26, 20690-20700 |
| 7249043 | CIF | C25 H18 N2 O3 | P 1 21/n 1 | 6.3866; 20.5762; 14.5475 90; 93.315; 90 | 1908.5 | Kulhánek, Jiří; Burešová, Zuzana; Klikar, Milan; Sdralias, Lampros; Katsidas, Alexandros; Pytela, Oldřich; Pařík, Patrik; Růžička, Aleš; Fakis, Mihalis; Bureš, Filip Synthesis, photophysics and two-photon absorption of imidazole-centred tripodal chromophores. Physical chemistry chemical physics : PCCP, 2024, 26, 20908-20918 |
| 7249077 | CIF | C15 H28 F6 N3 P | I -4 | 10.3526; 10.3526; 19.1311 90; 90; 90 | 2050.4 | Odubo, Favour E.; Muthuramesh, Snehashree; Zeller, Matthias; Rosokha, Sergiy V. Anion-π interaction with alkenes: persistent complexes <i>vs.</i> irreversible reactions of anions with tetracyanoethylene. Physical chemistry chemical physics : PCCP, 2024, 26, 21030-21039 |
| 7249078 | CIF | C18 H28 N6 O3 | P -1 | 10.4139; 10.7266; 10.91 80.179; 84.466; 61.796 | 1058.1 | Odubo, Favour E.; Muthuramesh, Snehashree; Zeller, Matthias; Rosokha, Sergiy V. Anion-π interaction with alkenes: persistent complexes <i>vs.</i> irreversible reactions of anions with tetracyanoethylene. Physical chemistry chemical physics : PCCP, 2024, 26, 21030-21039 |
| 7249079 | CIF | C30 H56 Cl2 N6 O8 | P -4 21 c | 10.2231; 10.2231; 18.5008 90; 90; 90 | 1933.6 | Odubo, Favour E.; Muthuramesh, Snehashree; Zeller, Matthias; Rosokha, Sergiy V. Anion-π interaction with alkenes: persistent complexes <i>vs.</i> irreversible reactions of anions with tetracyanoethylene. Physical chemistry chemical physics : PCCP, 2024, 26, 21030-21039 |
| 7249080 | CIF | C25 H18 Br N4 P | P -1 | 10.8503; 11.6951; 12.0077 118.266; 90.146; 115.285 | 1172.64 | Odubo, Favour E.; Muthuramesh, Snehashree; Zeller, Matthias; Rosokha, Sergiy V. Anion-π interaction with alkenes: persistent complexes <i>vs.</i> irreversible reactions of anions with tetracyanoethylene. Physical chemistry chemical physics : PCCP, 2024, 26, 21030-21039 |
| 7249081 | CIF | C38 H72 B2 F8 N6 | P -1 | 12.847; 17.517; 20.811 94.897; 90.015; 97.384 | 4627 | Odubo, Favour E.; Muthuramesh, Snehashree; Zeller, Matthias; Rosokha, Sergiy V. Anion-π interaction with alkenes: persistent complexes <i>vs.</i> irreversible reactions of anions with tetracyanoethylene. Physical chemistry chemical physics : PCCP, 2024, 26, 21030-21039 |
| 7249082 | CIF | C24 H36 N6 | C 1 2/c 1 | 22.2957; 10.8914; 21.7156 90; 108.298; 90 | 5006.6 | Odubo, Favour E.; Muthuramesh, Snehashree; Zeller, Matthias; Rosokha, Sergiy V. Anion-π interaction with alkenes: persistent complexes <i>vs.</i> irreversible reactions of anions with tetracyanoethylene. Physical chemistry chemical physics : PCCP, 2024, 26, 21030-21039 |
| 7249110 | CIF | C20 H14 O2 | P 1 21/n 1 | 9.03; 7.104; 9.88 90; 101.4; 90 | 621 | Hoser, Anna; Zwolenik, Aleksandra; Makal, Anna On the importance of low-frequency modes in predicting pressure-induced phase transitions. Physical chemistry chemical physics : PCCP, 2024, 26, 20745-20749 |
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