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. shu

A Detailed Dynamics Study of the Reaction CH₄+Cl→HCl+CH3

State Key Laboratory of Molecular Reaction Dynamics Institute of Chemistry Chinese Academy of Sciences Beijing 100080

Received Date: 8 January 1998

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.
- quasiclassical trajectory calculation,
- LEPS potential energy surface
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