Ab Initio Potential Surface in CH4 Activation by PTCL2

Fu Jiang DING Liang Fu ZHANG

引用本文: Fu Jiang DING,  Liang Fu ZHANG. Ab Initio Potential Surface in CH4 Activation by PTCL2[J]. Chinese Chemical Letters, 1997, 8(7): 645-646. shu
Citation:  Fu Jiang DING,  Liang Fu ZHANG. Ab Initio Potential Surface in CH4 Activation by PTCL2[J]. Chinese Chemical Letters, 1997, 8(7): 645-646. shu

Ab Initio Potential Surface in CH4 Activation by PTCL2

  • 基金项目:

    Project 2967304 supported by the National Natural Science Foundation of China.

摘要: Ab initio potential surface of oxidative addition of CH4 to coordinatively unsaturated PtCl2 is presented.The electron correlation has a big effect on the transition state and activation energy.

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  • 收稿日期:  1997-01-22
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    沈阳化工大学材料科学与工程学院 沈阳 110142

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