AB INITIO STUDY ON THE REACTION OF CH WITH NH3

Zhi Xiang WANG Ruo Zhuang LIU Ming Bao HUANG Zhong Hua YU

引用本文: Zhi Xiang WANG,  Ruo Zhuang LIU,  Ming Bao HUANG,  Zhong Hua YU. AB INITIO STUDY ON THE REACTION OF CH WITH NH3[J]. Chinese Chemical Letters, 1995, 6(11): 961-964. shu
Citation:  Zhi Xiang WANG,  Ruo Zhuang LIU,  Ming Bao HUANG,  Zhong Hua YU. AB INITIO STUDY ON THE REACTION OF CH WITH NH3[J]. Chinese Chemical Letters, 1995, 6(11): 961-964. shu

AB INITIO STUDY ON THE REACTION OF CH WITH NH3

  • 基金项目:

    This work was supported by NNSFC

摘要: The mechanism of the reaction of the CH radical with NH3 has been theoretically studied at the MP2/6-31G** level.The calculation results indicate that the insertion reaction path is the favourable channel,which is in line with Lin's proposal based on their kinetic experiments.A detailed description of the complicated insertion reaction path is presented.

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  • 收稿日期:  1995-04-11
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