Crystallography Open Database

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

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7248421 CIFC12 H8 O4P b c a10.9104; 11.1907; 15.6859
90; 90; 90
1915.17Blasco-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 CIFC20 H12 O4P 1 21/c 18.1365; 20.6845; 8.5612
90; 97.619; 90
1428.12Blasco-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 CIFC23 H22 I PP 1 21/c 110.606; 18.313; 10.75
90; 106.717; 90
2000Donnecke, 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 CIFC23 H22 F6 P2P 1 21/c 111.1886; 17.4838; 11.8098
90; 107.462; 90
2203.8Donnecke, 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 CIFC18 H16 Br N O2P 1 21/c 117.6763; 11.7042; 7.5524
90; 94.84; 90
1556.92Siwawannapong, 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 CIFC19 H17 Br N2 O4P 1 21/c 112.445; 12.529; 11.461
90; 93.804; 90
1783.1Siwawannapong, 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 CIFC27 H29 Br N2 O4P 1 21/c 114.7636; 11.7049; 15.5223
90; 113.075; 90
2467.75Siwawannapong, 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 CIFCl5 K2 N O RuP n m a13.126; 10.3284; 6.8375
90; 90; 90
926.96Mikhailov, 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 CIFC156 H168 F9 N12 O15 S3 YbP 21 21 2122.181; 26.777; 31.548
90; 90; 90
18738Sickinger, 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 CIFC156 H168 F9 N12 O15 S3 YbP 21 21 2122.207; 26.8; 31.519
90; 90; 90
18758Sickinger, 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 CIFC37 H45 N6 O8.5 S3P 111.5061; 13.0272; 14.0938
72.4941; 84.3059; 81.3692
1988.62Oka, 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 CIFC12 H10 N6 O3P 1 21/n 17.6908; 5.7271; 27.006
90; 90.719; 90
1189.4Christopher, 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 CIFC24 H20 N12 O6P 1 21/n 17.2224; 5.6283; 26.087
90; 94.048; 90
1057.8Christopher, 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 CIFC12 H10 N6 O3P 1 21/n 17.1952; 5.6211; 26.01
90; 94.452; 90
1048.8Christopher, 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 CIFC12 H10 N6 O3P 1 21/n 17.2334; 5.6302; 26.082
90; 94.001; 90
1059.6Christopher, 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 CIFC12 H10 N6 O3P 1 21/n 17.1472; 5.611; 25.939
90; 94.766; 90
1036.6Christopher, 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 CIFC12 H10 N6 O3P 1 21/n 17.6129; 5.7121; 26.809
90; 90.448; 90
1165.8Christopher, 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 CIFC12 H10 N6 O3P 1 21/n 17.0225; 5.5811; 25.7121
90; 95.797; 90
1002.59Christopher, 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 CIFC24 H20 N12 O6P 1 21/n 17.6153; 5.7099; 26.8265
90; 90.275; 90
1166.5Christopher, 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 CIFC12 H10 N6 O3P 1 21/n 17.9306; 5.7908; 27.809
90; 95.349; 90
1271.6Christopher, 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 CIFC12 H10 N6 O3P 1 21/n 17.3848; 5.6634; 26.3751
90; 92.598; 90
1102Christopher, 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 CIFC24 H20 N12 O6P 1 21/n 17.2747; 5.6382; 26.176
90; 93.556; 90
1071.6Christopher, 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 CIFC12 H10 N6 O3P 1 21/n 17.4571; 5.6784; 26.508
90; 91.931; 90
1121.8Christopher, 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 CIFC12 H10 N6 O3P 1 21/n 17.944; 5.7979; 27.874
90; 95.81; 90
1277.24Christopher, 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 CIFSiP -3 m 19.93653882; 9.93653882; 15.99433626
90; 90; 120
1367.62Niu, 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 CIFC19 H7 F4 N OP 1 21/n 16.9645; 13.1363; 14.5331
90; 93.668; 90
1326.88Deree, Yinon; Bogoslavsky, Benny; Schapiro, Igor; Gidron, Ori
The photochemistry and photophysics of benzoyl-carbazole.
Physical chemistry chemical physics : PCCP, 2024, 26, 18048-18053
7248904 CIFC14 H8 Br N O3P 1 21/c 14.775; 11.0709; 22.9812
90; 95.654; 90
1208.96Bhakta, 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 CIFC20 H20 Cu2 I2 N2 O2I 1 2 18.6998; 13.2495; 18.6513
90; 98.923; 90
2123.88Mojica, 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 CIFC6 Au3 Cd K N6P 3 1 26.8645; 6.8645; 8.2138
90; 90; 120
335.19Mojica, 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 CIFC56 H54 N4 O2 SP -112.2872; 12.8272; 15.3688
96.23; 91.199; 114.121
2192.03Polesiak, 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
7249318 CIFC8.5 H13.1 N2 S0.5P -17.0942; 10.814; 12.5483
79.409; 79.146; 76.001
907.66Shukla, 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

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