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Nitrodiaziridines: Unattainable yet, but Desired Energetic Materials.
J Phys Chem A. 2021 May 13;125(18):3920-3927. doi: 10.1021/acs.jpca.1c02960. Epub 2021 Apr 28.
J Phys Chem A. 2021.
PMID: 33909974
The unusual combination of beauty and power of furoxano-1,2,3,4-tetrazine 1,3-dioxides: a theoretical study of crystal structures.
Khakimov D, Zelenov V, Baraboshkin N, Pivina T.
Khakimov D, et al.
J Mol Model. 2019 Apr 1;25(4):107. doi: 10.1007/s00894-019-3986-7.
J Mol Model. 2019.
PMID: 30931498
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Di- and trioxides of triazolotetrazine: Computational prediction of crystal structures and estimation of physicochemical characteristics.
Khakimov DV, Zelenov VP, Pivina TS.
Khakimov DV, et al. Among authors: pivina ts.
J Comput Chem. 2022 Apr 30;43(11):778-784. doi: 10.1002/jcc.26833. Epub 2022 Mar 5.
J Comput Chem. 2022.
PMID: 35246991
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New Method for Predicting the Enthalpy of Salt Formation.
Khakimov DV, Pivina TS.
Khakimov DV, et al. Among authors: pivina ts.
J Phys Chem A. 2022 Aug 11;126(31):5207-5214. doi: 10.1021/acs.jpca.2c01114. Epub 2022 Jul 29.
J Phys Chem A. 2022.
PMID: 35905437
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Is everything correct? The formation enthalpy estimation and data revision of nitrate and perchlorate salts.
Khakimov DV, Pivina TS.
Khakimov DV, et al. Among authors: pivina ts.
J Mol Model. 2023 Feb 24;29(3):75. doi: 10.1007/s00894-023-05477-9.
J Mol Model. 2023.
PMID: 36826605
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Substituted tetrazoles with N-oxide moiety: critical assessment of thermochemical properties.
Khakimov DV, Fershtat LL, Pivina TS.
Khakimov DV, et al. Among authors: pivina ts.
Phys Chem Chem Phys. 2023 Nov 29;25(46):32071-32077. doi: 10.1039/d3cp05144g.
Phys Chem Chem Phys. 2023.
PMID: 37982240
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Computational insight into the crystal structures of cubane and azacubanes.
Khakimov DV, Svitanko IV, Pivina TS.
Khakimov DV, et al. Among authors: pivina ts.
J Mol Model. 2024 Mar 4;30(4):93. doi: 10.1007/s00894-024-05891-7.
J Mol Model. 2024.
PMID: 38433164
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