Comparison between hydrogen-transfer and fluoro-transfer reactions on the microcanonical unimolecular rate constants

被引:0
|
作者
Feng, WL [1 ]
Zhang, SW [1 ]
Wang, Y [1 ]
Wu, JN [1 ]
Li, ZH [1 ]
机构
[1] BEIJING NORMAL UNIV,DEPT CHEM,BEIJING 100875,PEOPLES R CHINA
关键词
microcanonical rate constant; tunneling effect; curvature correction;
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The microcanonical rate constants for the hydrogen-transfer process of HCCF (reaction 7) and the fluoro-transfer process of FCCF (reaction 8) are carried out with tunneling correction and curvature correction. The results show that the tunneling effects and curvature effects on the rate constant of reaction 7 is quite different from that of reaction 8. The rate constants for different rotational states are also studied for these reactions.
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页码:391 / 395
页数:5
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