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Quantum-chemical calculation of the gas-phase decomposition of H2O2and CH3OOCH3

✍ Scribed by A. A. Turovskii; R. V. Kucher; N. A. Turovskii; V. V. Lobanov


Book ID
112362864
Publisher
Springer
Year
1977
Tongue
English
Weight
510 KB
Volume
12
Category
Article
ISSN
0040-5760

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The effect on the thermal rate constant and the differential cross-sections of varying the dimensionality of quantum scattering calculations of a polyatomic reaction is investigated. The rotating bond approximation (RBA, 3D) and a rotating line approximation (RLA, 2D) are used for the CH, + OH + CH,