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  1. 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

  2. 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

  3. 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

  4. 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

  5. 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

  6. 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

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