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 |
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7246964 | CIF | C5 H3 Br O S | P 1 21/c 1 | 4.1013; 8.5014; 17.1726 90; 90.856; 90 | 598.69 | Mandal, Koushik; Hasija, Avantika; Shukla, Rahul; Hathwar, Venkatesha R.; Chopra, Deepak Quantitative evaluation of the electronic features involving "nucleophilic-electrophilic" character in the chalcogen sulfur. Physical chemistry chemical physics : PCCP, 2023, 25, 19427-19434 |
7246973 | CIF | C228 H234 Ag10 Cu16 F24 O19 P4 S16 | P 1 21/n 1 | 18.3848; 34.2944; 18.6956 90; 96.282; 90 | 11716.7 | Sun, Xueli; Li, Simin; Tian, Guolong; Gao, Yanli; Wei, Jianyu; Shen, Hui Ag<sub>10</sub>Cu<sub>16</sub> nanoclusters with triple-ligand protection: total structure and electronic structure analysis. Physical chemistry chemical physics : PCCP, 2023, 25, 17901-17906 |
7246983 | CIF | C18 H20 O4 | P b c a | 5.214; 23.4393; 25.016 90; 90; 90 | 3057.27 | Pajzderska, Aleksandra; Wierzchowski, Marcin; Łażewski, Dawid; Gielara-Korzańska, Agnieszka; Korzański, Artur; Popenda, Łukasz; Jenczyk, Jacek; Juranyi, Fanni; Embs, Jan P.; Wąsicki, Jan Experimental and theoretical insights into the structure and molecular dynamics of 2,3,3',4'-tetramethoxy-<i>trans</i>-stilbene - a chemopreventive agent. Physical chemistry chemical physics : PCCP, 2023, 25, 18481-18494 |
7246995 | CIF | C15 H11 N O3 S | P c a 21 | 27.449; 5.9185; 7.8408 90; 90; 90 | 1273.8 | Bhattacharyya, Arghyadeep; Bhakta, Viki; Guchhait, Nikhil Structural isomerism induces pH dependent AIE-coupled ESIPT: an in-depth spectroscopic exploration with application in amine vapor sensing. Physical chemistry chemical physics : PCCP, 2023, 25, 17482-17495 |
7246997 | CIF | C3 H2 N6 O6 | C 1 c 1 | 9.5399; 8.8744; 10.5124 90; 116.97; 90 | 793.2 | Zhang, Wenjin; Yang, Yiling; Shi, Shaoyi; Pang, Siping; Li, Yuchuan; Sun, Chenghui Regulation of stability and density of energetic materials <i>via</i> isomerism. Physical chemistry chemical physics : PCCP, 2023, 25, 20168-20172 |
7246998 | CIF | C3 H2 N6 O6 | P 1 21/n 1 | 7.0555; 12.4013; 9.011 90; 102.052; 90 | 771.06 | Zhang, Wenjin; Yang, Yiling; Shi, Shaoyi; Pang, Siping; Li, Yuchuan; Sun, Chenghui Regulation of stability and density of energetic materials <i>via</i> isomerism. Physical chemistry chemical physics : PCCP, 2023, 25, 20168-20172 |
7246999 | CIF | C3 H5 N7 O7 | P 1 n 1 | 4.882; 10.0306; 8.9963 90; 95.203; 90 | 438.73 | Zhang, Wenjin; Yang, Yiling; Shi, Shaoyi; Pang, Siping; Li, Yuchuan; Sun, Chenghui Regulation of stability and density of energetic materials <i>via</i> isomerism. Physical chemistry chemical physics : PCCP, 2023, 25, 20168-20172 |
7247000 | CIF | C3 H7 N7 O8 | P 1 21/c 1 | 6.4647; 15.866; 10.027 90; 96.745; 90 | 1021.3 | Zhang, Wenjin; Yang, Yiling; Shi, Shaoyi; Pang, Siping; Li, Yuchuan; Sun, Chenghui Regulation of stability and density of energetic materials <i>via</i> isomerism. Physical chemistry chemical physics : PCCP, 2023, 25, 20168-20172 |
7247023 | CIF | C34 H30 N2 O2 S | P 1 21/c 1 | 15.6071; 10.1092; 19.5816 90; 110.641; 90 | 2891.2 | Kumar, Krishan; Karmakar, Anirban; Chen, Feng-Rong; Jou, Jwo-Huei; Ghosh, Subrata; Banik, Subrata; Kumar, Sunil Rationally heteroarylated pyridines as hole transport materials for OLEDs. Physical chemistry chemical physics : PCCP, 2023, 25, 19648-19659 |
7247120 | CIF | C21 H15 F3 N3 O | P -1 | 4.5991; 10.1298; 19.1657 79.202; 83.246; 77.704 | 854.15 | Camargo, Bruno; Zajcewa, Irina; Pietrzak, Anna; Obijalska, Emilia; Szczytko, Jacek; Kaszyński, Piotr Thermally induced dimensionality changes in derivatives of a "super stable" Blatter radical. Physical chemistry chemical physics : PCCP, 2023, 25, 22813-22818 |
7247121 | CIF | C21 H12 F6 N3 | P -1 | 7.9593; 9.5462; 13.0766 87.499; 78.856; 66.872 | 895.92 | Camargo, Bruno; Zajcewa, Irina; Pietrzak, Anna; Obijalska, Emilia; Szczytko, Jacek; Kaszyński, Piotr Thermally induced dimensionality changes in derivatives of a "super stable" Blatter radical. Physical chemistry chemical physics : PCCP, 2023, 25, 22813-22818 |
7247242 | CIF | C10 H7 N3 O3 | P 1 21/c 1 | 10.89048; 9.54267; 10.63046 90; 115.645; 90 | 995.94 | Scheurrell, Kerstin; B Martins, Inês C; Murray, Claire; Emmerling, Franziska Exploring the role of solvent polarity in mechanochemical Knoevenagel condensation: <i>in situ</i> investigation and isolation of reaction intermediates. Physical chemistry chemical physics : PCCP, 2023, 25, 23637-23644 |
7247252 | CIF | C13 H10 O S | P 21 21 21 | 6.061; 7.6912; 21.2829 90; 90; 90 | 992.13 | Harrington, Kristen; Hogan, David T.; Sutherland, Todd C.; Stamplecoskie, Kevin Photophysical investigation into room-temperature emission from xanthene derivatives. Physical chemistry chemical physics : PCCP, 2023, 25, 24829-24837 |
7247253 | CIF | C40 H0.5 In N9 O3 | P 1 21/n 1 | 11.7675; 13.1064; 11.8764 90; 99.112; 90 | 1808.58 | Dou, Chang-Xun; Tian, Xu-Ke; Chen, Ying-Jun; Yin, Pei-Pei; Guo, Jia-Hui; Yang, Xiao-Gang; Guo, Yu-Ming; Ma, Lu-Fang Fast photocatalytic degradation of rhodamine B using indium-porphyrin based cationic MOF under visible light irradiation. Physical chemistry chemical physics : PCCP, 2023, 25, 25139-25145 |
7247257 | CIF | C46 H50 N4 O8 S4 | P 1 21/c 1 | 9.2402; 10.7034; 22.982 90; 97.437; 90 | 2253.83 | Packman, Lachlan; Mallo, Neil; Raynor, Aaron; Gao, Mile; Babazadeh, Mohammad; Jin, Hui; Huang, David M.; Burn, Paul L.; Gentle, Ian R.; Shaw, Paul E. The impact of film deposition and annealing on the nanostructure and dielectric constant of organic semiconductor thin films. Physical chemistry chemical physics : PCCP, 2023, 25, 23867-23878 |
7247438 | CIF | C35 H19 N7 | P -1 | 9.8862; 11.8127; 12.3102 93.827; 93.94; 111.868 | 1324.38 | Abou Taka, Ali; Reynolds, 3rd, Joseph E; Cole-Filipiak, Neil C; Shivanna, Mohana; Yu, Christine J.; Feng, Patrick; Allendorf, Mark D.; Ramasesha, Krupa; Stavila, Vitalie; McCaslin, Laura M. Comparing the structures and photophysical properties of two charge transfer co-crystals. Physical chemistry chemical physics : PCCP, 2023, 25, 27065-27074 |
7247439 | CIF | C27 H15 N5 | P 1 21/c 1 | 6.7312; 36.6599; 9.515 90; 106.283; 90 | 2253.79 | Abou Taka, Ali; Reynolds, 3rd, Joseph E; Cole-Filipiak, Neil C; Shivanna, Mohana; Yu, Christine J.; Feng, Patrick; Allendorf, Mark D.; Ramasesha, Krupa; Stavila, Vitalie; McCaslin, Laura M. Comparing the structures and photophysical properties of two charge transfer co-crystals. Physical chemistry chemical physics : PCCP, 2023, 25, 27065-27074 |
7247487 | CIF | C12 H18.86 F6 N Na O9 S2 | C 1 2/c 1 | 29.1334; 8.9809; 18.4512 90; 113.468; 90 | 4428.3 | Kobayashi, Akira; Yamagami, Jun; Ranjan, Subham; Takamizawa, Satoshi; Honda, Hisashi Solid state <sup>1</sup>H, <sup>7</sup>Li, and <sup>13</sup>C NMR studies on new ionic plastic crystals of crown ether-Li-TFSA complexes. Physical chemistry chemical physics : PCCP, 2023, 25, 27836-27847 |
7247488 | CIF | C12 H20 F6 N Na O9 S2 | C 1 2/c 1 | 29.292; 9.039; 18.545 90; 113.231; 90 | 4512 | Kobayashi, Akira; Yamagami, Jun; Ranjan, Subham; Takamizawa, Satoshi; Honda, Hisashi Solid state <sup>1</sup>H, <sup>7</sup>Li, and <sup>13</sup>C NMR studies on new ionic plastic crystals of crown ether-Li-TFSA complexes. Physical chemistry chemical physics : PCCP, 2023, 25, 27836-27847 |
7247489 | CIF | C20 H22 B F24 N O4 | P -1 | 8.6128; 11.9192; 14.6382 93.623; 94.957; 93.773 | 1490.27 | Duncan, Dale T.; Piper, Samantha L.; Forsyth, Maria; MacFarlane, Douglas R.; Kar, Mega Fluoroborate ionic liquids as sodium battery electrolytes. Physical chemistry chemical physics : PCCP, 2023, 25, 27718-27730 |
7247490 | CIF | C17 H30 B F12 O4 P | P -1 | 9.0301; 9.92; 14.9196 85.444; 80.521; 77.435 | 1285.34 | Duncan, Dale T.; Piper, Samantha L.; Forsyth, Maria; MacFarlane, Douglas R.; Kar, Mega Fluoroborate ionic liquids as sodium battery electrolytes. Physical chemistry chemical physics : PCCP, 2023, 25, 27718-27730 |
7247491 | CIF | C16 H26 B F12 N O4 | P 1 21/c 1 | 17.6281; 18.6841; 28.371 90; 96.401; 90 | 9286.17 | Duncan, Dale T.; Piper, Samantha L.; Forsyth, Maria; MacFarlane, Douglas R.; Kar, Mega Fluoroborate ionic liquids as sodium battery electrolytes. Physical chemistry chemical physics : PCCP, 2023, 25, 27718-27730 |
7247496 | CIF | C20 H12 N2 S | P 1 21/c 1 | 11.3392; 5.6836; 24.2274 90; 93.381; 90 | 1558.68 | Pradhan, Asit Kumar; Ray, Manaswini; Parthasarathy, Venkatakrishnan; Mishra, Ashok Kumar Effects of donor and acceptor substituents on the photophysics of 4-ethynyl-2,1,3-benzothiadiazole derivatives. Physical chemistry chemical physics : PCCP, 2023, 25, 29327-29340 |
7247497 | CIF | C18 H16 N2 S | P 1 21/c 1 | 18.867; 10.278; 8.239 90; 92.057; 90 | 1596.6 | Pradhan, Asit Kumar; Ray, Manaswini; Parthasarathy, Venkatakrishnan; Mishra, Ashok Kumar Effects of donor and acceptor substituents on the photophysics of 4-ethynyl-2,1,3-benzothiadiazole derivatives. Physical chemistry chemical physics : PCCP, 2023, 25, 29327-29340 |
7247498 | CIF | C48 H35.787 O2 Si2 | P 1 21 1 | 11.19827; 27.60749; 18.08478 90; 90.5504; 90 | 5590.76 | Tokoro, Yuichiro; Nakagawa, Tetsuya; Yamamoto, Shin-Ichi; Koizumi, Toshio; Oyama, Toshiyuki Probing local structure of glass with orientation-dependent luminescence. Physical chemistry chemical physics : PCCP, 2023, 25, 28113-28118 |
7247499 | CIF | C40 H32 O2 Si2 | P -1 | 10.4534; 12.101; 13.6441 110.811; 104.524; 95.283 | 1530.15 | Tokoro, Yuichiro; Nakagawa, Tetsuya; Yamamoto, Shin-Ichi; Koizumi, Toshio; Oyama, Toshiyuki Probing local structure of glass with orientation-dependent luminescence. Physical chemistry chemical physics : PCCP, 2023, 25, 28113-28118 |
7247500 | CIF | C48 H36 O2 Si2 | P 1 21/n 1 | 11.2799; 17.2391; 18.9684 90; 102.339; 90 | 3603.3 | Tokoro, Yuichiro; Nakagawa, Tetsuya; Yamamoto, Shin-Ichi; Koizumi, Toshio; Oyama, Toshiyuki Probing local structure of glass with orientation-dependent luminescence. Physical chemistry chemical physics : PCCP, 2023, 25, 28113-28118 |
7247501 | CIF | C48 H36 O2 Si2 | P 1 | 11.5209; 11.6461; 28.3488 90.306; 91.906; 101.613 | 3723.5 | Tokoro, Yuichiro; Nakagawa, Tetsuya; Yamamoto, Shin-Ichi; Koizumi, Toshio; Oyama, Toshiyuki Probing local structure of glass with orientation-dependent luminescence. Physical chemistry chemical physics : PCCP, 2023, 25, 28113-28118 |
7247522 | CIF | C144 H96 Ag9 Br24 Cl3 P8 Pt | R -3 :H | 19.102; 19.102; 90.1075 90; 90; 120 | 28474.1 | Wang, Meng; Li, Simin; Tang, Xiongkai; Zuo, Dongjie; Jia, Yanyuan; Guo, Shuo; Guan, Zong-Jie; Shen, Hui One-step preparation of Pt/Ag nanoclusters for CO<sub>2</sub> transformation. Physical chemistry chemical physics : PCCP, 2023, 25, 30373-30380 |
7247523 | CIF | C16 H32 F6 Li O8 P S4 | P 1 21/n 1 | 16.7168; 8.3892; 19.5667 90; 100.287; 90 | 2699.94 | Ugata, Yosuke; Chen, Yichuan; Miyazaki, Shuhei; Sasagawa, Shohei; Ueno, Kazuhide; Watanabe, Masayoshi; Dokko, Kaoru High-concentration LiPF<sub>6</sub>/sulfone electrolytes: structure, transport properties, and battery application. Physical chemistry chemical physics : PCCP, 2023, 25, 29566-29575 |
7247524 | CIF | C5 H8 F3 Li O5 S2 | I 1 2/a 1 | 8.5408; 23.905; 10.7593 90; 91.014; 90 | 2196.4 | Ugata, Yosuke; Chen, Yichuan; Miyazaki, Shuhei; Sasagawa, Shohei; Ueno, Kazuhide; Watanabe, Masayoshi; Dokko, Kaoru High-concentration LiPF<sub>6</sub>/sulfone electrolytes: structure, transport properties, and battery application. Physical chemistry chemical physics : PCCP, 2023, 25, 29566-29575 |
7247572 | CIF | C34 H19 F6 I6 N2 P S | P 1 21/m 1 | 7.2546; 28.912; 9.1504 90; 92.873; 90 | 1916.84 | Kumar, Lavanya; Dash, Sibananda G.; Leko, Katarina; Trzybiński, Damian; Bregović, Nikola; Cinčić, Dominik; Arhangelskis, Mihails Elucidating mechanochemical reactivity of a ternary halogen-bonded cocrystal system by computational and calorimetric studies. Physical chemistry chemical physics : PCCP, 2023, 25, 28576-28580 |
7247586 | CIF | C24 H64 N16 Sb4 Se10 Zn4 | C 1 2/c 1 | 30.4965; 7.825; 23.6797 90; 94.921; 90 | 5630 | Zhang, Lirong; Zhao, Huiling; Liu, Xin; Teri, Gele; Baiyin, Menghe Syntheses, crystal structure, and photoelectric properties of two Zn-based chalcogenidoantimonates Zn-Sb-Q (Q = S, Se). Physical chemistry chemical physics : PCCP, 2023, 25, 29709-29717 |
7247587 | CIF | C16 H48 N10 S6 Sb2 Zn2 | I 41/a :2 | 25.9513; 25.9513; 9.8863 90; 90; 90 | 6658.1 | Zhang, Lirong; Zhao, Huiling; Liu, Xin; Teri, Gele; Baiyin, Menghe Syntheses, crystal structure, and photoelectric properties of two Zn-based chalcogenidoantimonates Zn-Sb-Q (Q = S, Se). Physical chemistry chemical physics : PCCP, 2023, 25, 29709-29717 |
7247651 | CIF | As2 Eu In2 | R -3 m :H | 4.2102; 4.2102; 26.3814 90; 90; 120 | 404.98 | Wu, D. S.; Na, S. H.; Li, Y. J.; Zhou, X. B.; Wu, W.; Song, Y. T.; Zheng, P.; Li, Z.; Luo, J. L. Single-crystal growth, structure and thermal transport properties of the metallic antiferromagnet Zintl-phase β-EuIn<sub>2</sub>As<sub>2</sub>. Physical chemistry chemical physics : PCCP, 2024, 26, 8695-8703 |
7247670 | CIF | C20 H8 I3 N4 S10 | C 1 2/m 1 | 20.7416; 9.9967; 7.4017 90; 107.298; 90 | 1465.31 | Montisci, Fabio; Lanza, Arianna; Fisch, Martin; Sonneville, Camille; Geng, Yan; Decurtins, Silvio; Reber, Christian; Liu, Shi-Xia; Macchi, Piero High pressure behaviour of the organic semiconductor salt (TTF-BTD)<sub>2</sub>I<sub>3</sub>. Physical chemistry chemical physics : PCCP, 2023, 25, 31410-31417 |
7247671 | CIF | C20 H8 I3 N4 S10 | C 1 2/m 1 | 20.7153; 9.9754; 7.3562 90; 107.185; 90 | 1452.25 | Montisci, Fabio; Lanza, Arianna; Fisch, Martin; Sonneville, Camille; Geng, Yan; Decurtins, Silvio; Reber, Christian; Liu, Shi-Xia; Macchi, Piero High pressure behaviour of the organic semiconductor salt (TTF-BTD)<sub>2</sub>I<sub>3</sub>. Physical chemistry chemical physics : PCCP, 2023, 25, 31410-31417 |
7247672 | CIF | C20 H8 I3 N4 S10 | C 1 2/m 1 | 20.718; 9.96; 7.3352 90; 107.07; 90 | 1446.9 | Montisci, Fabio; Lanza, Arianna; Fisch, Martin; Sonneville, Camille; Geng, Yan; Decurtins, Silvio; Reber, Christian; Liu, Shi-Xia; Macchi, Piero High pressure behaviour of the organic semiconductor salt (TTF-BTD)<sub>2</sub>I<sub>3</sub>. Physical chemistry chemical physics : PCCP, 2023, 25, 31410-31417 |
7247673 | CIF | C18 H18 N2 O S2 | P -1 | 9.2114; 13.4808; 14.52 76.969; 75.035; 72.648 | 1640.93 | Xiao, Xiao; Mu, Tong; Sukhanov, Andrey A.; Zhou, Yihang; Yu, Peiran; Yu, Fabiao; Elmali, Ayhan; Zhao, Jianzhang; Karatay, Ahmet; Voronkova, Violeta K. The effect of thionation of the carbonyl group on the photophysics of compact spiro rhodamine-naphthalimide electron donor-acceptor dyads: intersystem crossing, charge separation, and electron spin dynamics. Physical chemistry chemical physics : PCCP, 2023, 25, 31667-31682 |
7247674 | CIF | C44 H44 N4 O2 S2 | P -1 | 10.1465; 12.0918; 16.0775 71.168; 85.399; 83.566 | 1853.15 | Xiao, Xiao; Mu, Tong; Sukhanov, Andrey A.; Zhou, Yihang; Yu, Peiran; Yu, Fabiao; Elmali, Ayhan; Zhao, Jianzhang; Karatay, Ahmet; Voronkova, Violeta K. The effect of thionation of the carbonyl group on the photophysics of compact spiro rhodamine-naphthalimide electron donor-acceptor dyads: intersystem crossing, charge separation, and electron spin dynamics. Physical chemistry chemical physics : PCCP, 2023, 25, 31667-31682 |
7247675 | CIF | C19 H15 Br N2 O | P 1 21/n 1 | 6.2672; 14.7584; 17.2093 90; 94.681; 90 | 1586.4 | Bhattacharyya, Arghyadeep; Das, Akash; Guchhait, Nikhil Interrogating the nature of aggregates formed in a model azine based ESIPT coupled AIE active probe: stark differences in photodynamics in the solid state and aggregates in water. Physical chemistry chemical physics : PCCP, 2023, 25, 31702-31713 |
7247679 | CIF | C6 Cl5 N O2 | R -3 :H | 8.716; 8.716; 10.946 90; 90; 120 | 720.15 | Gebbia, Jonathan F.; Aristizabal, Andrés Henao; Negrier, Philippe; Aguilà, David; Tamarit, Josep Lluis; Pardo, Luis Carlos Dynamics and local ordering of pentachloronitrobenzene: a molecular-dynamics investigation. Physical chemistry chemical physics : PCCP, 2023, 25, 30553-30562 |
7247680 | CIF | C6 Cl5 N O2 | R -3 :H | 8.744; 8.744; 11.068 90; 90; 120 | 732.86 | Gebbia, Jonathan F.; Aristizabal, Andrés Henao; Negrier, Philippe; Aguilà, David; Tamarit, Josep Lluis; Pardo, Luis Carlos Dynamics and local ordering of pentachloronitrobenzene: a molecular-dynamics investigation. Physical chemistry chemical physics : PCCP, 2023, 25, 30553-30562 |
7247689 | CIF | C18 H6 N30 O36 | P 1 21/c 1 | 14.815; 8.0553; 16.905 90; 92.113; 90 | 2016.1 | Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R. High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole. Physical chemistry chemical physics : PCCP, 2023, 25, 31646-31654 |
7247690 | CIF | C6 H2 N10 O12 | P 1 21/c 1 | 15.104; 8.246; 17.1411 90; 92.235; 90 | 2133.3 | Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R. High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole. Physical chemistry chemical physics : PCCP, 2023, 25, 31646-31654 |
7247691 | CIF | C3 H N5 O6 | P 1 21/c 1 | 14.6452; 7.9546; 16.7946 90; 92.018; 90 | 1955.3 | Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R. High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole. Physical chemistry chemical physics : PCCP, 2023, 25, 31646-31654 |
7247692 | CIF | C3 N5 O6 | C 1 c 1 | 19.5713; 7.6509; 14.6982 90; 127.661; 90 | 1742.3 | Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R. High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole. Physical chemistry chemical physics : PCCP, 2023, 25, 31646-31654 |
7247693 | CIF | C3 H N5 O6 | P 1 21/c 1 | 14.7836; 8.0383; 16.867 90; 92.078; 90 | 2003.1 | Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R. High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole. Physical chemistry chemical physics : PCCP, 2023, 25, 31646-31654 |
7247694 | CIF | C3 N5 O6 | C 1 c 1 | 19.3994; 7.5957; 14.5289 90; 127.637; 90 | 1695.3 | Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R. High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole. Physical chemistry chemical physics : PCCP, 2023, 25, 31646-31654 |
7247695 | CIF | C3 N5 O6 | C 1 c 1 | 19.319; 7.5668; 14.458 90; 127.623; 90 | 1674 | Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R. High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole. Physical chemistry chemical physics : PCCP, 2023, 25, 31646-31654 |
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