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Автор Bai Li-Hua
Автор Zhang Jing-Tao
Автор Zhang Qing-Gang
Автор Xu Zhi-Zhan
Дата выпуска 2004-05-01
dc.description Reaction probability, cross section and rate constant are studied for polyatomic reaction T+CH<sub>4</sub> CH<sub>3</sub>+HT using the semirigid vibrating rotor target (SVRT) model. The numerical calculation for the reaction system is carried out using the time-dependent wavepacket method, and the wavepacket is propagated by the split-operator method. The calculation exhibits a variety of features that can be used for comparison with future experimental investigations. The reaction probability as a function of the translational energy shows slight oscillatory structures, similar to those observed in H abstraction reactions H+H<sub>2</sub> and H+CH<sub>4</sub>. The comparisons with the H+CH<sub>4</sub> reaction are described.
Формат application.pdf
Издатель Institute of Physics Publishing
Название Time-Dependent Quantum Dynamics of T+CH4 CH3+HT Reaction
Тип paper
DOI 10.1088/0256-307X/21/5/019
Electronic ISSN 1741-3540
Print ISSN 0256-307X
Журнал Chinese Physics Letters
Том 21
Первая страница 832
Последняя страница 835
Выпуск 5

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