Ab initio study on the reaction of CH with NH3

被引：0

作者：

Wang, ZX

Liu, RZ

Huang, MB

Yu, ZH

机构：

[1] Beijing Normal Univ, Dept Chem, Beijing 100875, Peoples R China

[2] Acad Sinica, Grad Sch, Beijing 100039, Peoples R China

来源：

CHINESE CHEMICAL LETTERS | 1995年 / 6卷 / 11期

关键词：

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

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.

引用

页码：961 / 964

页数：4