Alternative mechanisms of the primary act of gas-phase monomolecular thermal decomposition of N-methyl-N’-methoxydiazene-N-oxide according to the data of quantum chemical calculations
Nikolaeva, E V, Khrapkovskii, G M, Aristov, I V, Egorov, D L, Shamov, A G
Published in Journal of physics. Conference series (01.11.2021)
Published in Journal of physics. Conference series (01.11.2021)
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The decay mechanism of 1,1,2,2-tetranitroxyethane according to theoretical calculations
Chachkov, D V, Egorov, D L, Nikolaeva, E V, Shamov, A G, Khrapkovskii, G M
Published in Journal of physics. Conference series (01.10.2020)
Published in Journal of physics. Conference series (01.10.2020)
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Journal Article
Transition state structure of the reaction of homolytic dissociation of the C-N bond and competition between dif erent mechanisms of the primary act of gas-phase monomolecular decomposition of nitrobenzene
Nikolaeva, E. V., Egorov, D. L., Chachkov, D. V., Shamov, A. G., Khrapkovskii, G. M.
Published in Russian chemical bulletin (01.08.2019)
Published in Russian chemical bulletin (01.08.2019)
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Journal Article
Alternative mechanisms of thermal decomposition of o-nitrotoluene in the gas phase
Nikolaeva, E. V., Chachkov, D. V., Shamov, A. G., Khrapkovskii, G. M.
Published in Russian chemical bulletin (01.02.2018)
Published in Russian chemical bulletin (01.02.2018)
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Journal Article
Energy barriers to gas-phase unimolecular decomposition of trinitrotoluenes
Khrapkovskii, G. M., Nikolaeva, E. V., Egorov, D. L., Chachkov, D. V., Shamov, A. G.
Published in Russian journal of organic chemistry (01.07.2017)
Published in Russian journal of organic chemistry (01.07.2017)
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The effect of molecular structure on the O – NO 2 bond dissociation energy and the activation energy of the radical decay of cellotriose nitrates
Khrapkovskii, G M, Garifzianova, G G, Egorov, D L, Chachkov, D V
Published in Journal of physics. Conference series (01.10.2020)
Published in Journal of physics. Conference series (01.10.2020)
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Journal Article
The effect of molecular structure on the O - NO2 bond dissociation energy and the activation energy of the radical decay of cellotriose nitrates
Khrapkovskii, G M, Garifzianova, G G, Egorov, D L, Chachkov, D V
Published in Journal of physics. Conference series (01.10.2020)
Published in Journal of physics. Conference series (01.10.2020)
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Journal Article
Theoretical Study of the Mechanism of the Nitro-Nitrite Rearrangement and Its Role in Gas-Phase Monomolecular Decomposition of C-Nitro Compounds
Khrapkovskii, G. M., Nikolaeva, E. V., Chachkov, D. V., Shamov, A. G.
Published in Russian journal of general chemistry (01.06.2004)
Published in Russian journal of general chemistry (01.06.2004)
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Mechanism of gas-phase decomposition of nitroethylene: A theoretical study
Shamov, A. G., Nikolaeva, E. V., Khrapkovskii, G. M.
Published in Russian journal of general chemistry (01.08.2004)
Published in Russian journal of general chemistry (01.08.2004)
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Journal Article
Exploration of decomposition pathways of 2,4,6-trinitrotoluene (TNT) radical ions by means of density functional theory
Nguyen Van, B., Nikolaeva, E.V., Shamov, A.G., Khrapkovskii, G.M., Tsyshevsky, R.V.
Published in International journal of mass spectrometry (03.12.2015)
Published in International journal of mass spectrometry (03.12.2015)
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Journal Article
Secondary processes in the mechanism of gas-phase monomolecular destruction of o-nitrotoluene
Nikolaeva, E. V., Shamov, A. G., Khrapkovskii, G. M.
Published in Russian journal of general chemistry (01.11.2014)
Published in Russian journal of general chemistry (01.11.2014)
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Journal Article
Determination of thermodynamic parameters of C2–C3 nitroalkanes using anharmonic oscillator approximation and explicit treatment of internal rotation
Turovtsev, V.V., Khrapkovskii, G.M., Shamov, A.G., Orlov, Yu.D., Tsyshevsky, R.V.
Published in Computational and theoretical chemistry (01.07.2014)
Published in Computational and theoretical chemistry (01.07.2014)
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