Crystallography Open Database
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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 |
|---|---|---|---|---|---|---|
| 7248380 | CIF | Br7 Nb3 Rb S | P m c 21 | 7.0218; 9.8353; 18.445 90; 90; 90 | 1273.8 | Grahlow, Fabian; Strauß, Fabian; Scheele, Marcus; Ströbele, Markus; Carta, Alberto; Weber, Sophie F.; Kroeker, Scott; Romao, Carl P.; Meyer, H-Jürgen Electronic structure and transport in the potential Luttinger liquids CsNb<sub>3</sub>Br<sub>7</sub>S and RbNb<sub>3</sub>Br<sub>7</sub>S. Physical chemistry chemical physics : PCCP, 2024, 26, 11789-11797 |
| 7248383 | CIF | C33 H15 N9 O3 | R -3 :H | 23.8757; 23.8757; 17.6972 90; 90; 120 | 8736.7 | Kumar, Krishan; Karmakar, Anirban; Thakur, Diksha; Sharma, Dipanshu; Chen, Feng-Rong; Verma, Varsha; Nagar, Mangey Ram; Jou, Jwo-Huei; Banik, Subrata; Ghosh, Subrata Self-assembled molecular network with waterwheel-like architecture: experimental and theoretical evaluation toward electron transport capabilities for optoelectronic devices. Physical chemistry chemical physics : PCCP, 2024, 26, 11922-11932 |
| 7248421 | CIF | C12 H8 O4 | P b c a | 10.9104; 11.1907; 15.6859 90; 90; 90 | 1915.17 | Blasco-Brusola, Alejandro; Tamarit, Lorena; Navarrete-Miguel, Miriam; Roca-Sanjuán, Daniel; Miranda, Miguel A.; Vayá, Ignacio Photolytic splitting of homodimeric quinone-derived oxetanes studied by ultrafast transient absorption spectroscopy and quantum chemistry. Physical chemistry chemical physics : PCCP, 2024, 26, 13489-13496 |
| 7248422 | CIF | C20 H12 O4 | P 1 21/c 1 | 8.1365; 20.6845; 8.5612 90; 97.619; 90 | 1428.12 | Blasco-Brusola, Alejandro; Tamarit, Lorena; Navarrete-Miguel, Miriam; Roca-Sanjuán, Daniel; Miranda, Miguel A.; Vayá, Ignacio Photolytic splitting of homodimeric quinone-derived oxetanes studied by ultrafast transient absorption spectroscopy and quantum chemistry. Physical chemistry chemical physics : PCCP, 2024, 26, 13489-13496 |
| 7248549 | CIF | C23 H22 I P | P 1 21/c 1 | 10.606; 18.313; 10.75 90; 106.717; 90 | 2000 | Donnecke, Sofia; Paul, Mathias; Williams, Peter J. H.; Chan, Serena; Tse, Veronica; Sachdeva, Jigyasa; Oliver, Allen G.; McIndoe, J. Scott; Paci, Irina Mechanistic study of the atomic layer deposition of cobalt: a combined mass spectrometric and computational approach. Physical chemistry chemical physics : PCCP, 2024, 26, 14448-14455 |
| 7248550 | CIF | C23 H22 F6 P2 | P 1 21/c 1 | 11.1886; 17.4838; 11.8098 90; 107.462; 90 | 2203.8 | Donnecke, Sofia; Paul, Mathias; Williams, Peter J. H.; Chan, Serena; Tse, Veronica; Sachdeva, Jigyasa; Oliver, Allen G.; McIndoe, J. Scott; Paci, Irina Mechanistic study of the atomic layer deposition of cobalt: a combined mass spectrometric and computational approach. Physical chemistry chemical physics : PCCP, 2024, 26, 14448-14455 |
| 7248575 | CIF | C18 H16 Br N O2 | P 1 21/c 1 | 17.6763; 11.7042; 7.5524 90; 94.84; 90 | 1556.92 | Siwawannapong, Kittipan; Diers, James R.; Magdaong, Nikki Cecil M.; Nalaoh, Phattananawee; Kirmaier, Christine; Lindsey, Jonathan S.; Holten, Dewey; Bocian, David F. Extension of nature's NIR-I chromophore into the NIR-II region. Physical chemistry chemical physics : PCCP, 2024, 26, 14228-14243 |
| 7248576 | CIF | C19 H17 Br N2 O4 | P 1 21/c 1 | 12.445; 12.529; 11.461 90; 93.804; 90 | 1783.1 | Siwawannapong, Kittipan; Diers, James R.; Magdaong, Nikki Cecil M.; Nalaoh, Phattananawee; Kirmaier, Christine; Lindsey, Jonathan S.; Holten, Dewey; Bocian, David F. Extension of nature's NIR-I chromophore into the NIR-II region. Physical chemistry chemical physics : PCCP, 2024, 26, 14228-14243 |
| 7248577 | CIF | C27 H29 Br N2 O4 | P 1 21/c 1 | 14.7636; 11.7049; 15.5223 90; 113.075; 90 | 2467.75 | Siwawannapong, Kittipan; Diers, James R.; Magdaong, Nikki Cecil M.; Nalaoh, Phattananawee; Kirmaier, Christine; Lindsey, Jonathan S.; Holten, Dewey; Bocian, David F. Extension of nature's NIR-I chromophore into the NIR-II region. Physical chemistry chemical physics : PCCP, 2024, 26, 14228-14243 |
| 7248595 | CIF | Cl5 K2 N O Ru | P n m a | 13.126; 10.3284; 6.8375 90; 90; 90 | 926.96 | Mikhailov, Artem A.; Gansmüller, Axel; Konieczny, Krzysztof A.; Pillet, Sébastien; Kostin, Gennadiy; Klüfers, Peter; Woike, Theo; Schaniel, Dominik Local force constants and charges of the nitrosyl ligand in photoinduced NO linkage isomers in a prototypical ruthenium nitrosyl complex. Physical chemistry chemical physics : PCCP, 2024, 26, 15255-15267 |
| 7248667 | CIF | C156 H168 F9 N12 O15 S3 Yb | P 21 21 21 | 22.181; 26.777; 31.548 90; 90; 90 | 18738 | Sickinger, Annika; Grasser, Maxime; Baguenard, Bruno; Bensalah-Ledoux, Amina; Guy, Laure; Bui, Anh Thy; Guyot, Yannick; Dorcet, Vincent; Pointillart, Fabrice; Cador, Olivier; Guy, Stéphan; Maury, Olivier; Le Guennic, Boris; Riobé, François Temperature-dependent NIR-CPL spectra of chiral Yb(III) complexes. Physical chemistry chemical physics : PCCP, 2024, 26, 15776-15783 |
| 7248668 | CIF | C156 H168 F9 N12 O15 S3 Yb | P 21 21 21 | 22.207; 26.8; 31.519 90; 90; 90 | 18758 | Sickinger, Annika; Grasser, Maxime; Baguenard, Bruno; Bensalah-Ledoux, Amina; Guy, Laure; Bui, Anh Thy; Guyot, Yannick; Dorcet, Vincent; Pointillart, Fabrice; Cador, Olivier; Guy, Stéphan; Maury, Olivier; Le Guennic, Boris; Riobé, François Temperature-dependent NIR-CPL spectra of chiral Yb(III) complexes. Physical chemistry chemical physics : PCCP, 2024, 26, 15776-15783 |
| 7248733 | CIF | C37 H45 N6 O8.5 S3 | P 1 | 11.5061; 13.0272; 14.0938 72.4941; 84.3059; 81.3692 | 1988.62 | Oka, Yoshimi; Inoue, Katsuya Time-resolved EPR observation of blue-light-induced radical ion pairs in a flavin-Trp dyad. Physical chemistry chemical physics : PCCP, 2024, 26, 16444-16448 |
| 7248734 | CIF | C12 H10 N6 O3 | P 1 21/n 1 | 7.6908; 5.7271; 27.006 90; 90.719; 90 | 1189.4 | 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 |
| 7248735 | CIF | C12 H10 N6 O3 | P 1 21/n 1 | 7.2224; 5.6283; 26.087 90; 94.048; 90 | 1057.8 | 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 |
| 7248736 | CIF | C12 H10 N6 O3 | P 1 21/n 1 | 7.1952; 5.6211; 26.01 90; 94.452; 90 | 1048.8 | 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 |
| 7248737 | CIF | C12 H10 N6 O3 | P 1 21/n 1 | 7.2334; 5.6302; 26.082 90; 94.001; 90 | 1059.6 | 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 |
| 7248738 | CIF | C12 H10 N6 O3 | P 1 21/n 1 | 7.1472; 5.611; 25.939 90; 94.766; 90 | 1036.6 | 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 |
| 7248739 | CIF | C12 H10 N6 O3 | P 1 21/n 1 | 7.6129; 5.7121; 26.809 90; 90.448; 90 | 1165.8 | 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 |
| 7248740 | CIF | C12 H10 N6 O3 | P 1 21/n 1 | 7.0225; 5.5811; 25.7121 90; 95.797; 90 | 1002.59 | 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 |
| 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 |
| 7249111 | CIF | C20 H14 O2 | P 1 21/n 1 | 9.16; 7.308; 10.05 90; 100.1; 90 | 662 | 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 |
| 7249112 | CIF | C20 H14 O2 | P 1 21/c 1 | 8.017; 23; 7.369 90; 95.75; 90 | 1351.9 | 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 |
| 7249113 | CIF | C20 H14 O2 | P 1 21/n 1 | 9.2316; 7.44094; 10.0891 90; 98.8945; 90 | 684.7 | 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 |
| 7249114 | CIF | C20 H14 O2 | P 1 21/c 1 | 7.901; 22.685; 6.897 90; 96.68; 90 | 1228 | 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 |
| 7249115 | CIF | C20 H14 O2 | P 1 21/n 1 | 9.2009; 7.309; 10.0763 90; 98.993; 90 | 669.3 | 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 |
| 7249116 | CIF | C20 H14 O2 | P 1 21/c 1 | 7.1511; 10.90793; 17.7744 90; 102.494; 90 | 1353.63 | 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 |
| 7249117 | CIF | C20 H14 O2 | P 1 21/c 1 | 8.0295; 23.1438; 7.4559 90; 95.865; 90 | 1378.3 | 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 |
| 7249118 | CIF | C20 H14 O2 | P 1 21/c 1 | 8.1203; 23.1408; 7.5624 90; 95.196; 90 | 1415.21 | 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 |
| 7249256 | CIF | C9 H9 F5 I P Se | P 1 21/c 1 | 6.3413; 27.4987; 7.7848 90; 91.554; 90 | 1356.99 | Zakharov, Anton S.; Krutin, Danil V.; Mosalyov, Pavel O.; Tupikina, Elena Yu; Antonov, Alexander S.; Tolstoy, Peter M.; Mulloyarova, Valeriya V. Phosphine selenides: versatile NMR probes for analyzing hydrogen OH⋯Se and halogen I⋯Se bonds. Physical chemistry chemical physics : PCCP, 2024, 26, 24488-24497 |
| 7249271 | CIF | C7 H10 Br N5 | P n a 21 | 11.057; 10.978; 7.917 90; 90; 90 | 960.995 | Dang, Duy-Khoi; Einkauf, Jeffrey D.; Ma, Xinyou; Custelcean, Radu; Ma, Ying-Zhong; Zimmerman, Paul M.; Bryantsev, Vyacheslav S. Photoisomerization mechanism of iminoguanidinium receptors from spectroscopic methods and quantum chemical calculations. Physical chemistry chemical physics : PCCP, 2024, 26, 24008-24020 |
| 7249318 | CIF | C8.5 H13.1 N2 S0.5 | P -1 | 7.0942; 10.814; 12.5483 79.409; 79.146; 76.001 | 907.66 | Shukla, Soni; Trivedi, Prince; Johnson, Delna; Sharma, Pulkit; Jha, Abhinav; Khan, Habiba; Thiruvenkatam, Vijay; Banerjee, Monisha; Bishnoi, Abha Synthesis, crystal structure analysis, computational modelling and evaluation of anti-cervical cancer activity of novel 1,5-dicyclooctyl thiocarbohydrazone. Physical chemistry chemical physics : PCCP, 2024, 26, 24135-24150 |
| 7249338 | CIF | C33 H25 B F2 O3 | P 1 21/c 1 | 9.567; 21.6; 12.483 90; 107; 90 | 2466.9 | Wang, Guangming; Chen, Yuanyuan; Chen, Xuefeng; Zha, Jinqi; Guo, Xiaoya; Zhang, Kaka Engineering high-brightness and long-lived organic room-temperature phosphorescence <i>via</i> systematic molecular design. Physical chemistry chemical physics : PCCP, 2024, 26, 24774-24778 |
| 7249351 | CIF | C9 H9 N O2 | P 1 21 1 | 5.3771; 5.7567; 12.4675 90; 101.824; 90 | 377.73 | Heiner, Benjamin R.; Handy, Kaitlyn M.; Devlin, Angela M.; Soucek, Jewel L.; Pittsford, Alexander M.; Turner, David A.; Petersen, Jacob P.; Oliver, Allen G.; Corcelli, Steven A.; Kandel, S. Alex Enantiopure molecules form apparently racemic monolayers of chiral cyclic pentamers. Physical chemistry chemical physics : PCCP, 2024, 26, 25430-25438 |
| 7249419 | CIF | C68 H70 B2 F8 N2 O10 P2 | P -1 | 10.208; 12.3079; 13.6327 92.111; 94.947; 92.151 | 1703.8 | Kumar, Sharvan; Mandal, Kalyanashis; M R, Ajayakumar; Hundal, Geeta; Mukhopadhyay, Pritam Unravelling the intramolecular n → σ* interaction in ultra-electron deficient naphthalenediimides and their radical ions. Physical chemistry chemical physics : PCCP, 2024, 26, 26076-26083 |
| 7249725 | CIF | C6 H18 Cl4 Mn2 O8 | P 1 21/c 1 | 7.5432; 17.4282; 6.4639 90; 111.271; 90 | 791.88 | Wu, Yi; Xie, Linchen; Jiang, Ye; He, Anqi; Li, Da; Yang, Limin; Xu, Yizhuang; Liu, Kexin; Ozaki, Yukihiro; Noda, Isao Further exploration of the physicochemical nature of μ<sub>2</sub>-bridge-relevant deprotonations <i>via</i> the elucidation of four kinds of alditol complexes. Physical chemistry chemical physics : PCCP, 2024 |
| 7249726 | CIF | C12 H38 Cl4 O20 Sc2 | P -1 | 7.623; 9.6669; 9.8696 77.848; 80.556; 77.706 | 689.26 | Wu, Yi; Xie, Linchen; Jiang, Ye; He, Anqi; Li, Da; Yang, Limin; Xu, Yizhuang; Liu, Kexin; Ozaki, Yukihiro; Noda, Isao Further exploration of the physicochemical nature of μ<sub>2</sub>-bridge-relevant deprotonations <i>via</i> the elucidation of four kinds of alditol complexes. Physical chemistry chemical physics : PCCP, 2024 |
| 7249727 | CIF | C12 H28 N4 O26 Sr2 | P -1 | 6.8279; 10.109; 10.3366 95.828; 107.386; 97.158 | 668.27 | Wu, Yi; Xie, Linchen; Jiang, Ye; He, Anqi; Li, Da; Yang, Limin; Xu, Yizhuang; Liu, Kexin; Ozaki, Yukihiro; Noda, Isao Further exploration of the physicochemical nature of μ<sub>2</sub>-bridge-relevant deprotonations <i>via</i> the elucidation of four kinds of alditol complexes. Physical chemistry chemical physics : PCCP, 2024 |
| 7249728 | CIF | C12 H34 Cl4 Lu2 O16 | P 1 21/c 1 | 10.4565; 12.1353; 11.2215 90; 117.135; 90 | 1267.2 | Wu, Yi; Xie, Linchen; Jiang, Ye; He, Anqi; Li, Da; Yang, Limin; Xu, Yizhuang; Liu, Kexin; Ozaki, Yukihiro; Noda, Isao Further exploration of the physicochemical nature of μ<sub>2</sub>-bridge-relevant deprotonations <i>via</i> the elucidation of four kinds of alditol complexes. Physical chemistry chemical physics : PCCP, 2024 |
| 7249845 | CIF | C5 H7 N11 O6 | P 1 21/n 1 | 11.8122; 7.2145; 13.9551 90; 101.598; 90 | 1164.96 | Cai, Jinxiong; Xia, Yingqi; Zhang, Hui; Su, Dongshuai; Lai, Qi; Yin, Ping; Pang, Siping Dinitramide salts based on nitropyrazole-diaminotriazole hybrid: novel ionic energetic materials with high-energy and low-sensitivity. Physical chemistry chemical physics : PCCP, 2025 |
| 7249846 | CIF | C7 H12 N8 O3 S | P -1 | 6.3223; 7.5001; 13.1977 87.878; 83.997; 71.712 | 590.93 | Cai, Jinxiong; Xia, Yingqi; Zhang, Hui; Su, Dongshuai; Lai, Qi; Yin, Ping; Pang, Siping Dinitramide salts based on nitropyrazole-diaminotriazole hybrid: novel ionic energetic materials with high-energy and low-sensitivity. Physical chemistry chemical physics : PCCP, 2025 |
| 7249847 | CIF | C5 H7 Cl N8 O6 | P 1 21/n 1 | 10.562; 10.716; 10.676 90; 113.385; 90 | 1109.1 | Cai, Jinxiong; Xia, Yingqi; Zhang, Hui; Su, Dongshuai; Lai, Qi; Yin, Ping; Pang, Siping Dinitramide salts based on nitropyrazole-diaminotriazole hybrid: novel ionic energetic materials with high-energy and low-sensitivity. Physical chemistry chemical physics : PCCP, 2025 |
| 7249848 | CIF | C5 H7 Cl N8 O6 | P -1 | 6.4651; 7.921; 11.0538 87.914; 85.143; 83.423 | 560.12 | Cai, Jinxiong; Xia, Yingqi; Zhang, Hui; Su, Dongshuai; Lai, Qi; Yin, Ping; Pang, Siping Dinitramide salts based on nitropyrazole-diaminotriazole hybrid: novel ionic energetic materials with high-energy and low-sensitivity. Physical chemistry chemical physics : PCCP, 2025 |
| 7249849 | CIF | C5 H7 N11 O6 | P -1 | 6.8428; 7.1911; 12.0118 90.107; 101.634; 92.125 | 578.5 | Cai, Jinxiong; Xia, Yingqi; Zhang, Hui; Su, Dongshuai; Lai, Qi; Yin, Ping; Pang, Siping Dinitramide salts based on nitropyrazole-diaminotriazole hybrid: novel ionic energetic materials with high-energy and low-sensitivity. Physical chemistry chemical physics : PCCP, 2025 |
| 7249886 | CIF | F0 La4.178 Mo3 Na0.822 O16.049 | P n -3 n :1 | 11.2426; 11.2426; 11.2426 90; 90; 90 | 1421.02 | Antipin, Alexander M.; Orlova, Ekaterina I.; Smirnova, Ekaterina S.; Trukhacheva, Maria P.; Sorokin, Timofei A.; Sidorova, Ekaterina V.; Kharitonova, Elena P.; Lyskov, Nikolay V.; Novikova, Natalia E.; Yapaskurt, Vasiliy O.; Sorokina, Natalia I.; Alekseeva, Olga A.; Voronkova, Valentina I. Structural features of sodium- and halogen-containing fluorite-like rare-earth molybdates. Physical chemistry chemical physics : PCCP, 2025 |
| 7249887 | CIF | Cl0.652 F0 La4.192 Mo3 Na0.808 O15.288 | P n -3 n :1 | 11.2895; 11.2895; 11.2895 90; 90; 90 | 1438.9 | Antipin, Alexander M.; Orlova, Ekaterina I.; Smirnova, Ekaterina S.; Trukhacheva, Maria P.; Sorokin, Timofei A.; Sidorova, Ekaterina V.; Kharitonova, Elena P.; Lyskov, Nikolay V.; Novikova, Natalia E.; Yapaskurt, Vasiliy O.; Sorokina, Natalia I.; Alekseeva, Olga A.; Voronkova, Valentina I. Structural features of sodium- and halogen-containing fluorite-like rare-earth molybdates. Physical chemistry chemical physics : PCCP, 2025 |
| 7249888 | CIF | Cl0.675 F0 La4.192 Mo3 Na0.808 O15.372 | P n -3 n :1 | 11.2496; 11.2496; 11.2496 90; 90; 90 | 1423.7 | Antipin, Alexander M.; Orlova, Ekaterina I.; Smirnova, Ekaterina S.; Trukhacheva, Maria P.; Sorokin, Timofei A.; Sidorova, Ekaterina V.; Kharitonova, Elena P.; Lyskov, Nikolay V.; Novikova, Natalia E.; Yapaskurt, Vasiliy O.; Sorokina, Natalia I.; Alekseeva, Olga A.; Voronkova, Valentina I. Structural features of sodium- and halogen-containing fluorite-like rare-earth molybdates. Physical chemistry chemical physics : PCCP, 2025 |
| 7249889 | CIF | Cl0 La4.2 Mo3 Na0.8 O15.981 | P n -3 n :1 | 11.2466; 11.2466; 11.2466 90; 90; 90 | 1422.5 | Antipin, Alexander M.; Orlova, Ekaterina I.; Smirnova, Ekaterina S.; Trukhacheva, Maria P.; Sorokin, Timofei A.; Sidorova, Ekaterina V.; Kharitonova, Elena P.; Lyskov, Nikolay V.; Novikova, Natalia E.; Yapaskurt, Vasiliy O.; Sorokina, Natalia I.; Alekseeva, Olga A.; Voronkova, Valentina I. Structural features of sodium- and halogen-containing fluorite-like rare-earth molybdates. Physical chemistry chemical physics : PCCP, 2025 |
| 7249890 | CIF | Cl0 La4.218 Mo3 Na0.782 O15.36 | P n -3 n :1 | 11.349; 11.349; 11.349 90; 90; 90 | 1461.7 | Antipin, Alexander M.; Orlova, Ekaterina I.; Smirnova, Ekaterina S.; Trukhacheva, Maria P.; Sorokin, Timofei A.; Sidorova, Ekaterina V.; Kharitonova, Elena P.; Lyskov, Nikolay V.; Novikova, Natalia E.; Yapaskurt, Vasiliy O.; Sorokina, Natalia I.; Alekseeva, Olga A.; Voronkova, Valentina I. Structural features of sodium- and halogen-containing fluorite-like rare-earth molybdates. Physical chemistry chemical physics : PCCP, 2025 |
| 7250100 | CIF | C6 Hg2 K2 N6 S2 | C m c m | 4.2576; 19.0419; 9.1464 90; 90; 90 | 741.52 | Jain, Aashna; Ghalsasi, Pallavi; Tothadi, Srinu; Garg, Nandini; Garg, Alka B.; Jha, Prafulla K.; Mande, Hemant; Ghalsasi, Prasanna S. Thermal and pressure response of KHg(CN)<sub>2</sub>(SCN). Physical chemistry chemical physics : PCCP, 2025 |
| 7250450 | CIF | C36 H90 Dy1.44 Er0.56 N32 O63 | R -3 :H | 25.8207; 25.8207; 31.7971 90; 90; 120 | 18359.2 | Rakhmanova, Mariana I.; Sukhikh, Taisiya S.; Andrienko, Irina V.; Kovalenko, Ekaterina A. Multicolor luminescence of supramolecular compounds based on mixed Dy-lanthanide complexes and cucurbit[6]uril for logic gate operation and WLED application. Physical chemistry chemical physics : PCCP, 2025 |
| 7250451 | CIF | C36 H68 Dy0.66 N31 Nd1.33 O49 | P -1 | 13.4485; 14.4739; 18.2996 73.751; 87.332; 87.813 | 3414.89 | Rakhmanova, Mariana I.; Sukhikh, Taisiya S.; Andrienko, Irina V.; Kovalenko, Ekaterina A. Multicolor luminescence of supramolecular compounds based on mixed Dy-lanthanide complexes and cucurbit[6]uril for logic gate operation and WLED application. Physical chemistry chemical physics : PCCP, 2025 |
| 7250452 | CIF | C36 H68 Dy0.38 Eu1.06 N31 O49 Tb0.56 | P -1 | 13.4119; 14.4765; 18.2272 73.8275; 87.283; 87.7342 | 3393.8 | Rakhmanova, Mariana I.; Sukhikh, Taisiya S.; Andrienko, Irina V.; Kovalenko, Ekaterina A. Multicolor luminescence of supramolecular compounds based on mixed Dy-lanthanide complexes and cucurbit[6]uril for logic gate operation and WLED application. Physical chemistry chemical physics : PCCP, 2025 |
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