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  1. 2025

  2. Kinetic Isotope Effect in the Unfolding of a Protein Secondary Structure: Calculations for Beta-Sheet Polyglycine Dimers as a Model

    Яншин, А. О., Kiselev, V. & Бакланов, А. В., 9 Jan 2025, In: Biomedicines. 15, 1, 12 p., 2561.

    Research output: Contribution to journal › Article › peer-review

  3. 2024

  4. Too fast and too furious: thermoanalytical and quantum chemical study of the thermal stability of 4,4′-dinitro-3,3′-diazenofuroxan

    Kiselev, V. G., Sadykov, A. R., Melnikov, I. N., Fomenkov, I. V., Fershtat, L. L., Pivkina, A. N. & Muravyev, N. V., 4 Dec 2024, In: Physical Chemistry Chemical Physics. 26, 47, p. 29541-29551 11 p.

    Research output: Contribution to journal › Article › peer-review

  5. Toward improved ion chemistry in flames: revisiting C3H3+ reaction pathways and mechanism validation against mass spectrometric measurements in non-sooting premixed flames of small aliphatic hydrocarbons

    Черепанов, А. В., Kiselev, V., Dmitriev, A., Шмаков, А. Г. & Князьков, Д. А., Apr 2024, In: Combustion and Flame. 262, 15 p., 113344.

    Research output: Contribution to journal › Article › peer-review

  6. Metal-Free Reversible Double Cyclization of Cyanuric Diazide to an Asymmetric Bitetrazolate via Cleavage of the Six-Membered Aromatic Ring

    Vaddypally, S., Byrne, A. N., Goldsmith, C. F., Zdilla, M. J. & Kiselev, V. G., 5 Feb 2024, In: Inorganic Chemistry. 63, 5, p. 2322-2326 5 p.

    Research output: Contribution to journal › Article › peer-review

  7. Ion chemistry in ammonia-hydrogen-oxygen flames

    Cherepanov, A. V., Kiselev, V. G., Dmitriev, A. M., Osipova, K. N., Shmakov, A. G. & Knyazkov, D. A., Jan 2024, In: Proceedings of the Combustion Institute. 40, 1-4, 7 p., 105584.

    Research output: Contribution to journal › Article › peer-review

  8. 2023

  9. New Mechanistic Insights into the Primary Thermolysis Reactions of 1,3,4,6-Tetranitrooctahydroimidazo-[4,5-d]imidazole (BCHMX) from Predictive Local Coupled Cluster Calculations

    Melnikov, I. N., Pivkina, A. N. & Kiselev, V. G., 28 Dec 2023, In: The journal of physical chemistry. A. 127, 51, p. 10860-10871 12 p.

    Research output: Contribution to journal › Article › peer-review

  10. A detailed chemical kinetic mechanism of 1,1-diamino-2,2-dinitroethylene (FOX-7) initial decomposition in the gas phase

    Lyu, J. Y., Zhu, Q., Bai, X., Ren, X., Li, J., Chen, D., Kiselev, V. G., Li, Y. & Yang, W., Sept 2023, In: Combustion and Flame. 255, 14 p., 112877.

    Research output: Contribution to journal › Article › peer-review

  11. The Nature of the Enthalpy-Entropy Compensation and "Exotic" Arrhenius Parameters in the Denaturation Kinetics of Proteins

    Baklanov, A. V. & Kiselev, V. G., 25 Jun 2023, In: International Journal of Molecular Sciences. 24, 13, 10630.

    Research output: Contribution to journal › Article › peer-review

  12. A new look at the structure of the neutral Au18 cluster: hollow versus filled golden cage

    Nhat, P. V., Si, N. T., Fielicke, A., Kiselev, V. G. & Nguyen, M. T., 29 Mar 2023, In: Physical chemistry chemical physics : PCCP. 25, 13, p. 9036-9042 7 p.

    Research output: Contribution to journal › Article › peer-review

  13. Thermochemistry, Tautomerism, and Thermal Stability of 5,7-Dinitrobenzotriazoles

    Melnikov, I. N., Kiselev, V. G., Dalinger, I. L., Starosotnikov, A. M., Muravyev, N. V. & Pivkina, A. N., 10 Mar 2023, In: International Journal of Molecular Sciences. 24, 6, 5330.

    Research output: Contribution to journal › Article › peer-review

  14. Experimental and kinetic modeling study of the positive ions in premixed ethylene flames over a range of equivalence ratios

    Knyazkov, D. A., Cherepanov, V., Kiselev, V. G., Gerasimov, I. E., Kasper, T. & Shmakov, A. G., 2023, In: Proceedings of the Combustion Institute. 39, 2, p. 1753-1761 9 p.

    Research output: Contribution to journal › Article › peer-review

  15. 2022

  16. Thermal stability of energetic 6,8-dinitrotriazolo[1,5-a]pyridines: Interplay of thermal analysis and quantitative quantum chemical calculations

    Melnikov, I. N., Kiselev, V. G., Bastrakov, M. A., Dalinger, I. L. & Pivkina, A. N., Nov 2022, In: Thermochimica Acta. 717, 179342.

    Research output: Contribution to journal › Article › peer-review

  17. Cationic structure of premixed near-stoichiometric CH4/O2/Ar flames at atmospheric pressure: New insights from mass spectrometry, quantum chemistry, and kinetic modeling

    Knyazkov, D. A., Gerasimov, I. E., Bolshova, T. A., Kiselev, V. G., Shmakov, A. G. & Paletsky, A. A., Jul 2022, In: Combustion and Flame. 241, 112106.

    Research output: Contribution to journal › Article › peer-review

  18. Autocatalytic decomposition of energetic materials: interplay of theory and thermal analysis in the study of 5-amino-3,4-dinitropyrazole thermolysis

    Muravyev, N. V., Gorn, M. V., Melnikov, I. N., Monogarov, K. A., Korsunskii, B. L., Dalinger, I. L., Pivkina, A. N. & Kiselev, V. G., 17 Jun 2022, In: Physical Chemistry Chemical Physics. 24, 26, p. 16325-16342 18 p.

    Research output: Contribution to journal › Article › peer-review

  19. Unexpected structures of the Au17 gold cluster: the stars are shining

    Nhat, P. V., Si, N. T., Kiselev, V. G., Fielicke, A., Pham, H. T. & Nguyen, M. T., 10 May 2022, In: Chemical Communications. 58, 38, p. 5785-5788 4 p.

    Research output: Contribution to journal › Article › peer-review

  20. Практические занятия по квантовой химии

    Горбунов, Д. Е., Грицан, Н. П. & Киселев, В. Г., 2022, Новосибирск: ИПЦ НГУ. 40 p.

    Research output: Book/Report › Teaching manual › peer-review

  21. 2021

  22. Another look at energetically quasi-degenerate structures of the gold cluster Au27q with q = 1, 0, −1

    Nhat, P. V., Si, N. T., Kiselev, V. G. & Nguyen, M. T., 15 Nov 2021, In: Journal of Computational Chemistry. 42, 30, p. 2145-2153 9 p.

    Research output: Contribution to journal › Article › peer-review

  23. Nitrogen-rich metal-free salts: a new look at the 5-(trinitromethyl)tetrazolate anion as an energetic moiety

    Chaplygin, D. A., Larin, A. A., Muravyev, N. V., Meerov, D. B., Kosareva, E. K., Kiselev, V. G., Pivkina, A. N., Ananyev, I. V. & Fershtat, L. L., 21 Oct 2021, In: Dalton Transactions. 50, 39, p. 13778-13785 8 p.

    Research output: Contribution to journal › Article › peer-review

  24. Learning to fly: thermochemistry of energetic materials by modified thermogravimetric analysis and highly accurate quantum chemical calculations

    Muravyev, N. V., Monogarov, K. A., Melnikov, I. N., Pivkina, A. N. & Kiselev, V. G., 7 Aug 2021, In: Physical Chemistry Chemical Physics. 23, 29, p. 15522-15542 21 p.

    Research output: Contribution to journal › Article › peer-review

  25. Nitroderivatives of N-pyrazolyltetrazoles: Thermal decomposition and combustion

    Sinditskii, V. P., Smirnova, A. D., Serushkin, V. V., Yudin, N. V., Vatsadze, I. A., Dalinger, I. L., Kiselev, V. G. & Sheremetev, A. B., Apr 2021, In: Thermochimica Acta. 698, 178876.

    Research output: Contribution to journal › Article › peer-review

  26. 2020

  27. Nitro-, Cyano-, and Methylfuroxans, and Their Bis-Derivatives: From Green Primary to Melt-Cast Explosives

    Larin, A. A., Bystrov, D. M., Fershtat, L. L., Konnov, A. A., Makhova, N. N., Monogarov, K. A., Meerov, D. B., Melnikov, I. N., Pivkina, A. N., Kiselev, V. G. & Muravyev, N. V., 10 Dec 2020, In: Molecules (Basel, Switzerland). 25, 24, 19 p., 5836.

    Research output: Contribution to journal › Article › peer-review

  28. Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring

    Vaddypally, S., Kiselev, V. G., Byrne, A. N., Goldsmith, C. F. & Zdilla, M. J., 8 Dec 2020, In: Chemical Science. 12, 6, p. 2268-2275 8 p.

    Research output: Contribution to journal › Article › peer-review

  29. Thermal Stability of Bis-Tetrazole and Bis-Triazole Derivatives with Long Catenated Nitrogen Chains: Quantitative Insights from High-Level Quantum Chemical Calculations

    Gorn, M. V., Gritsan, N. P., Goldsmith, C. F. & Kiselev, V. G., 24 Sept 2020, In: The journal of physical chemistry. A. 124, 38, p. 7665-7677 13 p.

    Research output: Contribution to journal › Article › peer-review

  30. Pressure DSC for energetic materials. Part 2. Switching between evaporation and thermal decomposition of 3,5-dinitropyrazole

    Gorn, M. V., Monogarov, K. A., Dalinger, I. L., Melnikov, I. N., Kiselev, V. G. & Muravyev, N. V., 1 Aug 2020, In: Thermochimica Acta. 690, 10 p., 178697.

    Research output: Contribution to journal › Article › peer-review

  31. 2019

  32. Accurate Thermochemistry of Novel Energetic Fused Tricyclic 1,2,3,4-Tetrazine Nitro Derivatives from Local Coupled Cluster Methods

    Kiselev, V. G. & Goldsmith, C. F., 14 Nov 2019, In: Journal of Physical Chemistry A. 123, 45, p. 9818-9827 10 p.

    Research output: Contribution to journal › Article › peer-review

  33. Accurate Prediction of Bond Dissociation Energies and Barrier Heights for High-Energy Caged Nitro and Nitroamino Compounds Using a Coupled Cluster Theory

    Kiselev, V. G. & Goldsmith, C. F., 13 Jun 2019, In: Journal of Physical Chemistry A. 123, 23, p. 4883-4890 8 p.

    Research output: Contribution to journal › Article › peer-review

  34. 2018

  35. Toward reliable characterization of energetic materials: interplay of theory and thermal analysis in the study of the thermal stability of tetranitroacetimidic acid (TNAA)

    Kiselev, V. G., Muravyev, N. V., Monogarov, K. A., Gribanov, P. S., Asachenko, A. F., Fomenkov, I. V., Goldsmith, C. F., Pivkina, A. N. & Gritsan, N. P., 28 Nov 2018, In: Physical Chemistry Chemical Physics. 20, 46, p. 29285-29298 14 p.

    Research output: Contribution to journal › Article › peer-review

  36. Thin films of chlorosubstituted vanadyl phthalocyanine: charge transport properties and optical spectroscopy study of structure

    Basova, T. V., Kiselev, V. G., Klyamer, D. D. & Hassan, A., 1 Oct 2018, In: Journal of Materials Science: Materials in Electronics. 29, 19, p. 16791-16798 8 p.

    Research output: Contribution to journal › Article › peer-review

  37. Thermochemistry, Tautomerism, and Thermal Decomposition of 1,5-Diaminotetrazole: A High-Level ab Initio Study

    Shakhova, M. V., Muravyev, N. V., Gritsan, N. P. & Kiselev, V. G., 19 Apr 2018, In: Journal of Physical Chemistry A. 122, 15, p. 3939-3949 11 p.

    Research output: Contribution to journal › Article › peer-review

  38. Decomposition Pathways of Titanium Isopropoxide Ti(OiPr)4: New Insights from UV-Photodissociation Experiments and Quantum Chemical Calculations

    Ershov, K. S., Kochubei, S. A., Kiselev, V. G. & Baklanov, A. V., 1 Feb 2018, In: Journal of Physical Chemistry A. 122, 4, p. 1064-1070 7 p.

    Research output: Contribution to journal › Article › peer-review

  39. 2017

  40. Cheaper, Faster, or Better: Are simple estimations of safety parameters of hazardous materials reliable? Comments on “Thermal behaviors, nonisothermal decomposition reaction kinetics, thermal safety and burning rates of BTATz-CMDB propellant” by Zhao et al. (2010)

    Muravyev, N. V. & Kiselev, V. G., 15 Jul 2017, In: Journal of Hazardous Materials. 334, p. 267-270 4 p.

    Research output: Contribution to journal › Letter › peer-review

  41. Comment on "studies on thermodynamic properties of FOX-7 and its five closed-loop derivatives"

    Muravyev, N. V., Pivkina, A. N. & Kiselev, V. G., 12 Jan 2017, In: Journal of Chemical and Engineering Data. 62, 1, p. 575-576 2 p.

    Research output: Contribution to journal › Comment/debate › peer-review

  42. 2016

  43. Pursuing reliable thermal analysis techniques for energetic materials: Decomposition kinetics and thermal stability of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate (TKX-50)

    Muravyev, N. V., Monogarov, K. A., Asachenko, A. F., Nechaev, M. S., Ananyev, I. V., Fomenkov, I. V., Kiselev, V. G. & Pivkina, A. N., 21 Dec 2016, In: Physical Chemistry Chemical Physics. 19, 1, p. 436-449 14 p.

    Research output: Contribution to journal › Article › peer-review

  44. Thin films of fluorinated 3d-metal phthalocyanines as chemical sensors of ammonia: An optical spectroscopy study

    Basova, T. V., Mikhaleva, N. S., Hassan, A. K. & Kiselev, V. G., 1 May 2016, In: Sensors and Actuators, B: Chemical. 227, p. 634-642 9 p.

    Research output: Contribution to journal › Article › peer-review

  45. 2015

  46. Comment on "computational Study on the Vinyl Azide Decomposition"

    Nguyen, M. T., Hang, T. D., Gritsan, N. P. & Kiselev, V. G., 24 Dec 2015, In: Journal of Physical Chemistry A. 119, 51, p. 12906-12907 2 p.

    Research output: Contribution to journal › Letter › peer-review

  47. Studies on Thermodynamic Properties of FOX-7 and Its Five Closed-Loop Derivatives

    Muravyev, N. V., Pivkina, A. N. & Kiselev, V. G., 9 Jul 2015, In: Journal of Chemical and Engineering Data. 60, 7, p. 2057-2061 5 p.

    Research output: Contribution to journal › Article › peer-review

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