Mechanism of formation and monomolecular decomposition of aci-nitromethanes: a quantum-chemical study

G.M.Khrapkovskii; A.G.Shamov; G.A.Shamov

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Mechanism of formation and monomolecular decomposition of aci-nitromethanes: a quantum-chemical study

机译：硝基硝基甲烷的形成和单分子分解机理：量子化学研究

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A quantum-chemical study of the reactions of formation of aci-nitromethane (aci-NM) and aci-dinitormethane (aci-DNM) and their decomposition with elimination of water was carried out.

机译：进行了aci-硝基甲烷（aci-NM）和aci-diitor甲烷（aci-DNM）的形成及其在除水后的分解反应的量子化学研究。

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《Russian Chemical Bulletin》 |2001年第6期|共6页
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G.M.Khrapkovskii; A.G.Shamov; G.A.Shamov;
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中图分类化学;
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1. Mechanism of formation and monomolecular decomposition of aci-nitromethanes: a quantum-chemical study [J] . G.M.Khrapkovskii, A.G.Shamov, G.A.Shamov Russian Chemical Bulletin . 2001,第6期

机译：硝基硝基甲烷的形成和单分子分解机理：量子化学研究
2. An isomer-specific study of solid nitromethane decomposition pathways - Detection of aci-nitromethane (H2CNO(OH)) and nitrosomethanol (HOCH2NO) intermediates [J] . Maksyutenko Pavlo, Forstel Marko, Crandall Parker, Chemical Physics Letters . 2016,第Null期

机译：固体硝基甲烷分解途径的异构体特异性研究-邻硝基甲烷（H2CNO（OH））和亚硝基甲醇（HOCH2NO）中间体的检测
3. 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 [J] . Nikolaeva E. V., Egorov D. L., Chachkov D. V., Russian Chemical Bulletin . 2019,第8期

机译：转变状态结构的亚氮键均致离子反应的反应和不同机制与硝基苯的初级气相单分子分解的机制
4. Energy of the N-NO_2 bond dissociation and the mechanism of the gas-phase monomolecular thermal decomposition of aliphatic N-nitramines [C] . Elisey Mazilov, Evgeniya Ogurtsova, Alexander Shamov, Energetic Materials: Processing and Product Design . 2008

机译：N-NO_2键解离的能量和脂肪族N-硝胺的气相单分子热分解机理
5. Peroxynitrite chemistry: Formation, decomposition and possible deactivation mechanisms by thiols. [D] . Olagunju, Olufunke. 2008

机译：过氧亚硝酸盐化学：硫醇的形成，分解和可能的失活机理。
6. Decomposition Mechanisms and Kinetics of Novel Energetic Molecules BNFF-1 and ANFF-1: Quantum-Chemical Modeling [O] . Roman V. Tsyshevsky, Maija M. Kuklja 2013

机译：新型高能分子BNFF-1和ANFF-1的分解机理和动力学：量子化学建模
7. ALTERNATIVE MECHANISMS OF GAS-PHASE MONOMOLECULAR THERMO DE-STRUCTION OF NITROBENZENE AND ITS METHYL, HYDROXY AND AMINO DERIVATIVES REPLACED ACCORDING TO QUANTUM-CHEMICAL METHODS OF DENSITY FUNCTIONALITY [O] . E. Nikolaeva, D. Chachkov, A. Shamov, 2019

机译：根据密度函数的量子化学方法，替代硝基苯和甲基，羟基和氨基衍生物的替代机制

Mechanism of formation and monomolecular decomposition of aci-nitromethanes: a quantum-chemical study

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