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21
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Khakimov D.V.
, Nesterov I.D.
, Pivina T.S.
Structure and complexation energy of benzotrifuroxan–benzene molecular complex
Mendeleev Communications. 2021.
V.31. N2. P.197-200. DOI: 10.1016/j.mencom.2021.03.017
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22
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Khakimov D.V.
, Fershtat L.L.
, Pivina T.S.
, Makhova N.N.
Nitrodiaziridines: Unattainable yet, but Desired Energetic Materials
Journal of Physical Chemistry A. 2021.
V.125. N18. P.3920-3927. DOI: 10.1021/acs.jpca.1c02960
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23
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Merkulova N.L.
, Nesterov I.D.
, Korolev V.L.
, Danilenko V.M.
, Pivina T.S.
The tautomerism of imidazo[4,5-e]benzo[1,2-c,3,4-c] difuroxans: A quantum chemical and experimental study
Journal of Molecular Structure. 2020.
V.1207. 127775
. DOI: 10.1016/j.molstruc.2020.127775
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24
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Radzhabov M.R.
, Sheremetev A.B.
, Pivina T.S.
Oxidative ability of organic iodine(iii) reagents: a theoretical assessment
New Journal of Chemistry. 2020.
V.44. N17. P.7051-7057. DOI: 10.1039/d0nj00837k
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25
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Zelenov V.P.
, Baraboshkin N.M.
, Khakimov D.V.
, Muravyev N.V.
, Meerov D.B.
, Troyan I.A.
, Pivina T.S.
, Dzyabchenko A.V.
, Fedyanin I.V.
Time for quartet: the stable 3 : 1 cocrystal formulation of FTDO and BTF – a high-energy-density material
CrystEngComm. 2020.
V.22. N29. P.4823-4832. DOI: 10.1039/d0ce00639d
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26
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Khakimov D.V.
, Dzyabchenko A.V.
, Pivina T.S.
Computer simulation of the crystal structure of tetrazino-tetrazine tetraoxide (TTTO) isomers with one and two independent molecules in the unit cell
Russian Chemical Bulletin. 2020.
V.69. N2. P.212-217. DOI: 10.1007/s11172-020-2748-0
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27
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Baraboshkin N.М.
, Zelenov V.P.
, Dzyabchenko A.V.
, Fedyanin I.V.
, Pivina T.S.
X-ray study and computational model of the solid solvate of [1,2,5]oxadiazolo[3,4-е][1,2,3,4]tetrazine 4,6-dioxide (FTDO) with benzene and ab initio crystal structure prediction of pure FTDO
Journal of Molecular Structure. 2019.
V.1190. P.135-143. DOI: 10.1016/j.molstruc.2019.04.037
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28
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Khakimov D.V.
, Dzyabchenko A.V.
, Pivina T.S.
Crystal Structure Prediction of Bifurazano[3,4‐b:3′,4′‐f][3′′,4′′‐d](BFFO) in the Experimentally Known Monohydrated and Proposed Anhydrous Forms
Propellants, Explosives, Pyrotechnics. 2019.
V.44. N12. P.1528-1534. DOI: 10.1002/prep.201900252
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29
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Khakimov D.
, Zelenov V.
, Baraboshkin N.
, Pivina T.
The unusual combination of beauty and power of furoxano-1,2,3,4-tetrazine 1,3-dioxides: a theoretical study of crystal structures
Journal of Molecular Modeling. 2019.
V.25. N4. 107
. DOI: 10.1007/s00894-019-3986-7
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30
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Belen’kii L.I.
, Radzhabov M.R.
, Pivina T.S.
Quantum-chemical study of the mechanism of aminomethylation of tetrazoles according to the elimination–addition scheme without preliminary formation of N-protonated azolium salts
Mendeleev Communications. 2018.
V.28. N5. P.548-550. DOI: 10.1016/j.mencom.2018.09.034
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31
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Korolev V.L.
, Toporov V.V.
, Merkulova N.L.
, Danilenko V.M.
, Ivshin V.P.
, Pivina T.S.
Synthesis of N-substituted imidazo[4,5-e]benzo[1,2-c;3,4-c’]difuroxans
Russian Chemical Bulletin. 2017.
V.66. N11. P.2126-2130. DOI: 10.1007/s11172-017-1991-5
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32
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Zelenov V.P.
, Fedyanin I.V.
, Khakimov D.V.
, Pivina T.S.
Transformations of 3(4)-amino-4(3)-(tert-butyl-NNO-azoxy)furoxans in the annulation reactions into 1,2,3,4-tetrazine 1,3-dioxides
Russian Chemical Bulletin. 2017.
V.66. N7. P.1240-1249. DOI: 10.1007/s11172-017-1879-4
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33
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Korolev V.L.
, Toporov V.V.
, Merkulova N.L.
, Danilenko V.M.
, Ivshin V.P.
, Pivina T.S.
Synthesis of imidazo[4,5-e]benzo[1,2-c;3,4-c´]difuroxanes
Russian Chemical Bulletin. 2017.
V.66. N7. P.1250-1255. DOI: 10.1007/s11172-017-1880-y
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34
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Radzhabov M.R.
, Tsyganov D.V.
, Pivina T.S.
, Krayushkin M.M.
, Seeboth N.
, Ivanov S.
, Salit A-F.
Synthesis of pyridinium ylides and simulation of their 1,3-dipolar cycloaddition mechanism
Mendeleev Communications. 2017.
V.27. N5. P.503-505. DOI: 10.1016/j.mencom.2017.09.025
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35
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Khakimov D.V.
, Pivina T.S.
Calculated enthalpies of formation of 5,5’-bitetrazole salts
Mendeleev Communications. 2016.
V.26. N2. P.134-135. DOI: 10.1016/j.mencom.2016.03.017
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36
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Smolenskii E.A.
, Pivina T.S.
, Ryzhov A.N.
, Maslova L.K.
, Zefirov N.S.
Computer-aided modeling of physicochemical characteristics of various energy sources
Russian Chemical Bulletin. 2016.
V.65. N6. P.1395-1405. DOI: 10.1007/s11172-016-1468-y
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37
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Smirnov A.S.
, Smirnov S.P.
, Pivina T.S.
, Lempert D.B.
, Maslova L.K.
Comprehensive assessment of physicochemical properties of new energetic materials
Russian Chemical Bulletin. 2016.
V.65. N10. P.2315-2332. DOI: 10.1007/s11172-016-1584-8
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38
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Khakimov D.V.
, Pivina T.S.
Quantum chemical modeling of the enthalpy of formation for guanidinium bitetrazole salts
Russian Chemical Bulletin. 2016.
V.65. N3. P.640-643. DOI: 10.1007/s11172-016-1348-5
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39
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Khakimov D.
, Dalinger I.
, Pivina T.
Quantum chemical modeling of the thermochemical characteristics and acidity of polynitroazole salts
Computational and Theoretical Chemistry. 2015.
V.1063. P.24-28. DOI: 10.1016/j.comptc.2015.03.017
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40
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Kuznetsov V.V.
, Seregin V.V.
, Khakimov D.V.
, Pivina T.S.
, Vedenyapina M.D.
, Vedenyapin A.A.
, Makhova N.N.
The study of the formation mechanism of 1,2,3-trialkyldiaziridines by kinetic and quantum chemistry methods
Russian Chemical Bulletin. 2014.
V.63. N9. P.2000-2006. DOI: 10.1007/s11172-014-0691-7
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