Ab Initio Potential Surface in CH_4 Activation by PTCL_2

Ab Initio Potential Surface in CH_4 Activation by PTCL_2

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摘要 Ab initio potential surface of oxidative addition of CH4 to coordinatively unsaturated PtC12 is presented. The electron correlation has a big effect on the transition state and activation energy. Ab initio potential surface of oxidative addition of CH4 to coordinatively unsaturated PtC12 is presented. The electron correlation has a big effect on the transition state and activation energy.

作者 Fu Jiang DING Liang Fu ZHANG(Chengdu Inshtute of Organic Chemistry, Acadamia Sinica, Chengdu 610041)

出处《Chinese Chemical Letters》 SCIE CAS CSCD 1997年第7期645-646,共2页 中国化学快报（英文版）

关键词 CH PTCL RHF Ab Initio Potential Surface in CH4 Activation by PTCL2

分类号 O621 [理学—有机化学]

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Chinese Chemical Letters

1997年第7期

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Ab Initio Potential Surface in CH_4 Activation by PTCL_2

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