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  1. 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

  2. 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

  3. 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

  4. 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

  5. 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

  6. 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

  7. 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

  8. 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

  9. 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

  10. 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 › Article › peer-review

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