Science activity
Articles (83) More info
| 1 |
Khakimov D.V.
, Pivina T.S.
Salts of ethylenediamine and diethylenetriamines: modeling of crystal structure and estimation of enthalpies of formation Russian Chemical Bulletin. 2025. V.74. N2. P.354-360. DOI: 10.1007/s11172-025-4527-4 WOS Scopus OpenAlex |
| 2 |
Khakimov D.V.
, Fershtat L.L.
, Pivina T.S.
Enthalpies of formation of some N -oxide bitetrazole salts New Journal of Chemistry. 2025. V.49. N46. P.19973-19978. DOI: 10.1039/d5nj03580e WOS Scopus OpenAlex |
| 3 |
Khakimov D.V.
, Fershtat L.L.
, Pivina T.S.
Theoretical study of the structure and energy performance of nitroformates and mono-, di-, tri- and tetranitromethanes Energetic Materials Frontiers. 2025. V.6. N3. P.362-369. DOI: 10.1016/j.enmf.2025.02.005 Scopus OpenAlex |
| 4 |
Khakimov D.V.
, Pivina T.S.
New potential HEDMs with a pyridazine core: Structural modeling and assessment of thermochemical properties FirePhysChem. 2024. V.4. N1. P.42-47. DOI: 10.1016/j.fpc.2023.06.002 OpenAlex |
| 5 |
Khakimov D.V.
, Fershtat L.L.
, Pivina T.S.
Enthalpies of Formation of Bistetrazole Dioxides in the Question: Computer Simulation for the Answer Journal of Chemical & Engineering Data. 2024. V.69. N4. P.1557-1563. DOI: 10.1021/acs.jced.4c00026 WOS Scopus OpenAlex |
| 6 |
Svitanko I.V.
, Pivina T.S.
Molecular modeling in synthesis: from statistical methods to quantum chemistry and practical applications Russian Chemical Bulletin. 2024. V.73. N5. P.1093-1108. DOI: 10.1007/s11172-024-4226-6 WOS Scopus OpenAlex |
| 7 |
Khakimov D.V.
, Svitanko I.V.
, Pivina T.S.
Computational insight into the crystal structures of cubane and azacubanes Journal of Molecular Modeling. 2024. V.30. N4. 93 . DOI: 10.1007/s00894-024-05891-7 WOS Scopus OpenAlex |
| 8 |
Baraboshkin N.M.
, Zelenov V.P.
, Khakimov D.V.
, Dzyabchenko A.V.
, Pivina T.S.
Cocrystals of polynitrogen compounds as a basis for promising energetic materials: crystal structure prediction methods, their experimental verification, and evaluation of cocrystal properties Russian Chemical Bulletin. 2024. V.73. N2. P.243-282. DOI: 10.1007/s11172-024-4137-6 WOS Scopus OpenAlex |
| 9 |
Khakimov D.V.
, Pivina T.S.
Towards improving the characteristics of high-energy pyrazines and their N-oxides Journal of Molecular Modeling. 2024. V.30. N11. 392 . DOI: 10.1007/s00894-024-06186-7 WOS Scopus OpenAlex |
| 10 |
Hunnisett L.M.
, Nyman J.
, Francia N.
, Abraham N.S.
, Adjiman C.S.
, Aitipamula S.
, Alkhidir T.
, Almehairbi M.
, Anelli A.
, Anstine D.M.
, Anthony J.E.
, Arnold J.E.
, Bahrami F.
, Bellucci M.A.
, Bhardwaj R.M.
, Bier I.
, Bis J.A.
, Boese D.A.
, Bowskill D.H.
, Bramley J.
, Brandenburg J.G.
, Braun D.E.
, Butler P.W.V.
, Cadden J.
, Carino S.
, Chan E.J.
, Chang C.
, Cheng B.
, Clarke S.M.
, Coles S.J.
, Cooper R.I.
, Couch R.
, Cuadrado R.
, Darden T.
, Day G.M.
, Dietrich H.
, Ding Y.
, DiPasquale A.
, Dhokale B.
, Eijck B.P.v.
, Elsegood M.R.J.
, Firaha D.
, Fu W.
, Fukuzawa K.
, Glover J.
, Goto H.
, Greenwell C.
, Guo R.
, Harter J.
, Helfferich J.
, Hofmann D.W.M.
, Hoja J.
, Hone J.
, Hong R.
, Hutchison G.
, Ikabata Y.
, Isayev O.
, Ishaque O.
, Jain V.
, Jin Y.
, Jing A.
, Johnson E.R.
, Jones I.
, Jose J.K.V.
, Kabova E.A.
, Keates A.
, Kelly P.F.
, Khakimov D.
, Konstantinopoulos S.
, Kuleshova L.N.
, Li H.
, Lin X.
, List A.
, Liu C.
, Liu Y.M.
, Liu Z.
, Liu Z.P.
, Lubach J.W.
, Marom N.
, Maryewski A.A.
, Matsui H.
, Mattei A.
, Mayo A.R.
, Melkumov J.W.
, Mohamed S.
, Momenzadeh Abardeh Z.
, Muddana H.S.
, Nakayama N.
, Nayal K.S.
, Neumann M.A.
, Nikhar R.
, Obata S.
, O'Connor D.
, Oganov A.R.
, Okuwaki K.
, Otero-de-la-Roza A.
, Pantelides C.C.
, Parkin S.
, Pickard C.J.
, Pivina T.
, Pilia L.
The seventh blind test of crystal structure prediction: structure generation methods Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 2024. V.80. N6. P.517-547. DOI: 10.1107/s2052520624007492 WOS Scopus OpenAlex |
| 11 |
Khakimov D.V.
, Degtyarev S.A.
, Pivina T.S.
Nitro- and tetrazolopyrazines: modeling of the crystal structure and assessment of properties Russian Chemical Bulletin. 2023. V.72. N4. P.847-852. DOI: 10.1007/s11172-023-3848-3 WOS Scopus OpenAlex |
| 12 |
Khakimov D.V.
, Pivina T.S.
Is everything correct? The formation enthalpy estimation and data revision of nitrate and perchlorate salts Journal of Molecular Modeling. 2023. V.29. N3. 75 . DOI: 10.1007/s00894-023-05477-9 WOS Scopus OpenAlex |
| 13 |
Khakimov D.
, Pivina T.
Thermochemistry and crystal structure predictions of energetic derivatives of formamidine salts New Journal of Chemistry. 2023. V.47. N7. P.3535-3540. DOI: 10.1039/d2nj06270d WOS Scopus OpenAlex |
| 14 |
Khakimov D.
, Fershtat L.L.
, Pivina T.
Substituted tetrazoles with N-oxide moiety: critical assessment of thermochemical properties Physical Chemistry Chemical Physics. 2023. V.25. N46. P.32071-32077. DOI: 10.1039/d3cp05144g WOS Scopus OpenAlex |
| 15 |
Khakimov D.V.
, Pivina T.S.
New Method for Predicting the Enthalpy of Salt Formation Journal of Physical Chemistry A. 2022. V.126. N31. P.5207-5214. DOI: 10.1021/acs.jpca.2c01114 WOS Scopus OpenAlex |
| 16 |
Baraboshkin N.M.
, Khakimov D.V.
, Pivina T.S.
Crystal structure simulation and estimation of the cocrystallization energy for [1,2,5]oxadiazolo[3,4-e][1,2,3,4]tetrazine-4,6-dioxide with nitrobenzenes Russian Chemical Bulletin. 2022. V.71. N1. P.38-43. DOI: 10.1007/s11172-022-3373-x WOS Scopus OpenAlex |
| 17 |
Khakimov D.V.
, Zelenov V.P.
, Pivina T.S.
Di‐ and trioxides of triazolotetrazine: Computational prediction of crystal structures and estimation of physicochemical characteristics Journal of Computational Chemistry. 2022. V.43. N11. P.778-784. DOI: 10.1002/jcc.26833 WOS Scopus OpenAlex |
| 18 |
Baraboshkin N.M.
, Zelenov V.P.
, Minyaev M.E.
, Pivina T.S.
Quest: structure and properties of BTF–nitrobenzene cocrystals with different ratios of components CrystEngComm. 2022. V.24. N2. P.235-250. DOI: 10.1039/d1ce00977j WOS Scopus OpenAlex |
| 19 |
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 WOS Scopus OpenAlex |
| 20 |
Nesterov I.D.
, Belen’kii L.I.
, Pivina T.S.
Quantum chemical simulation for the mechanism of benzene bromination Russian Chemical Bulletin. 2021. V.70. N6. P.1080-1083. DOI: 10.1007/s11172-021-3187-2 WOS Scopus OpenAlex |
| 21 |
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 WOS Scopus OpenAlex |
| 22 |
Baraboshkin N.M.
, Stratulat A.-M.
, Pivina T.S.
Theoretical estimation of the sublimation enthalpy of azoles Russian Chemical Bulletin. 2021. V.70. N10. P.1893-1899. DOI: 10.1007/s11172-021-3293-1 WOS Scopus OpenAlex |
| 23 |
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 WOS Scopus OpenAlex |
| 24 |
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 WOS Scopus OpenAlex |
| 25 |
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 WOS Scopus OpenAlex |
| 26 |
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 WOS Scopus OpenAlex |
| 27 |
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 Scopus OpenAlex |
| 28 |
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 WOS Scopus OpenAlex |
| 29 |
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 WOS Scopus OpenAlex |
| 30 |
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 WOS Scopus OpenAlex |
| 31 |
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 WOS Scopus OpenAlex |
| 32 |
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 WOS Scopus OpenAlex |
| 33 |
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 WOS Scopus OpenAlex |
| 34 |
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 WOS Scopus OpenAlex |
| 35 |
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 WOS Scopus OpenAlex |
| 36 |
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 WOS Scopus OpenAlex |
| 37 |
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 WOS Scopus OpenAlex |
| 38 |
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 WOS Scopus OpenAlex |
| 39 |
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 Scopus OpenAlex |
| 40 |
Khakimov D.V.
, Kuchurov I.V.
, Fomenkov I.V.
, Pivina T.S.
, Zlotin S.G.
, Tartakovsky V.A.
Simulation of Ozone and Molecular Oxygen Oxidation of Dinitrogen Tetroxide to Nitric Anhydride Mendeleev Communications. 2014. V.24. N2. P.94-95. DOI: 10.1016/j.mencom.2014.03.009 WOS Scopus OpenAlex |
| 41 |
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 WOS Scopus OpenAlex |
| 42 |
Pleshchev M.I.
, Petukhova V.Y.
, Kuznetsov V.V.
, Khakimov D.V.
, Pivina T.S.
, Struchkova M.I.
, Nelyubina Y.V.
, Makhova N.N.
Metathesis of Azomethine Imines in Reaction of 6-aryl-1,5-Diazabicyclo[3.1.0]Hexanes with (Het)Arylidenemalononitriles Mendeleev Communications. 2013. V.23. N1. P.34-36. DOI: 10.1016/j.mencom.2013.01.012 WOS Scopus OpenAlex |
| 43 |
Dalinger I.L.
, Khakimov D.V.
, Shkineva T.K.
, Vatsadze I.A.
, Popova G.P.
, Pivina T.S.
, Shevelev S.A.
Quantum-chemical study of the reactivity of di- and trinitropyrazoles Chemistry of Heterocyclic Compounds. 2013. V.48. N11. P.1646-1651. DOI: 10.1007/s10593-013-1187-3 WOS Scopus OpenAlex |
| 44 |
Petukhova V.Y.
, Fershtat L.L.
, Kachala V.V.
, Kuznetsov V.V.
, Khakimov D.V.
, Pivina T.S.
, Makhova N.N.
Reaction of 1,2‐Dialkyldiaziridines and 1,2,3‐Trialkyldiaziridines with Methyl Propiolate in Ionic Liquids and in Organic Solvents Journal of Heterocyclic Chemistry. 2013. V.50. N2. P.326-336. DOI: 10.1002/jhet.1079 WOS Scopus OpenAlex |
| 45 |
Pleshchev M.I.
, Petukhova V.Y.
, Kuznetsov V.V.
, Khakimov D.V.
, Pivina T.S.
, Nelyubina Y.V.
, Makhova N.N.
Generation and metathesis of azomethine imines in reaction of 6-aryl-1,5-diazabicyclo[3.1.0]hexanes with het(aryl)methylidenemalononitriles Russian Chemical Bulletin. 2013. V.62. N4. P.1066-1075. DOI: 10.1007/s11172-013-0143-9 WOS Scopus OpenAlex |
| 46 |
Filimonov S.I.
, Chirkova Z.V.
, Abramov I.G.
, Firgang S.I.
, Stashina G.A.
, Strelenko Y.A.
, Khakimov D.V.
, Pivina T.S.
, Samet A.V.
, Suponitsky K.Y.
Base-induced transformations of ortho-nitrobenzylketones: intramolecular displacement of nitro group versus nitro-nitrite rearrangement Tetrahedron. 2012. V.68. N30. P.5991-5997. DOI: 10.1016/j.tet.2012.05.034 WOS Scopus OpenAlex |
| 47 |
Konstantinova L.S.
, Amelichev S.A.
, Belyakov P.A.
, Khakimov D.V.
, Pivina T.S.
, Lyssenko K.A.
, Rakitin O.A.
Formation of unsymmetrical 1,4-dithiins from fused 1,2,3,4,5-pentathiepins: synthesis, structural, and computational study Tetrahedron. 2012. V.68. N2. P.590-597. DOI: 10.1016/j.tet.2011.10.113 WOS Scopus OpenAlex |
| 48 |
Pivina T.
, Korolev V.
, Khakimov D.
, Petukhova T.
, Ivshin V.
, Lempert D.
Computer Simulation of Decomposition Mechanisms for CL‐20, Hydrazine, and Their Binary System Propellants, Explosives, Pyrotechnics. 2012. V.37. N4. P.502-509. DOI: 10.1002/prep.201100098 WOS Scopus OpenAlex |
| 49 |
Makhova N.N.
, Ovchinnikov I.V.
, Kulikov A.S.
, Khakimov D.V.
, Molchanova M.S.
, Pivina T.S.
Diaminofuroxan: Synthetic Approaches and Computer‐Aided Study of Thermodynamic Stability Propellants, Explosives, Pyrotechnics. 2012. V.37. N5. P.549-557. DOI: 10.1002/prep.201100033 WOS Scopus OpenAlex |
| 50 |
Kuznetsov V.V.
, Seregin V.V.
, Laptev A.A.
, Khakimov D.V.
, Pivina T.S.
, Simakova A.P.
, Vedenyapina M.D.
, Vedenyapin A.A.
, Makhova N.N.
Kinetic and quantum chemical studies of the mechanism of formation of 1,2-dialkyldiaziridines Russian Chemical Bulletin. 2012. V.61. N6. P.1121-1127. DOI: 10.1007/s11172-012-0152-0 WOS Scopus OpenAlex |
Degrees
1990 - Dr.Sc.
Academic titles
2000 - Professor