引用本文:
Li Jin XU, Xue Bin WANG, Ji Min YAN, Fan Ao KONG. A Detailed Dynamics Study of the Reaction CH4+Cl→HCl+CH3[J]. Chinese Chemical Letters,
1998, 9(8): 771-774.
Citation: Li Jin XU, Xue Bin WANG, Ji Min YAN, Fan Ao KONG. A Detailed Dynamics Study of the Reaction CH4+Cl→HCl+CH3[J]. Chinese Chemical Letters, 1998, 9(8): 771-774.
Citation: Li Jin XU, Xue Bin WANG, Ji Min YAN, Fan Ao KONG. A Detailed Dynamics Study of the Reaction CH4+Cl→HCl+CH3[J]. Chinese Chemical Letters, 1998, 9(8): 771-774.
A Detailed Dynamics Study of the Reaction CH4+Cl→HCl+CH3
摘要:
The detailed dynamics of the CH4+CI→HC1+CH3 reaction has been investigated by means of the quasiclassical trajectory approach. The properties analyzed can be interpreted in terms of the main topological features of the potential energy surface used. On the basis of the theoretical results, two reaction channels are proposed: one is a direct channel and the other is a complex one.
English
A Detailed Dynamics Study of the Reaction CH4+Cl→HCl+CH3
Abstract:
The detailed dynamics of the CH4+CI→HC1+CH3 reaction has been investigated by means of the quasiclassical trajectory approach. The properties analyzed can be interpreted in terms of the main topological features of the potential energy surface used. On the basis of the theoretical results, two reaction channels are proposed: one is a direct channel and the other is a complex one.
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