Quantum dynamics of heavy light heavy reactions: Application to (F + CH4 → FCH3 + H) reaction

被引：0
|
作者：
Hassan Talaat
Ali H. Moussa
M. Shalaby
El-Wallid S. Sedik
M. Tag El-Din Kamal
机构：
[1] Ain Shams University,Physics Department, Faculty of Science
[2] National Research Center,Theoretical Physics Department
来源：
Russian Journal of Physical Chemistry A | 2013年 / 87卷
关键词：
reaction dynamics; potential surface; normal modes; F + CH; FCH; + H reaction;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
We apply the time-dependent theory to the collinear exchange reaction F + CH4 → FCH3 + H. We have performed detailed calculations on two-dimensional potential surfaces representing the ground electronic potentials of the collinear F + CH4 → FCH3 + H reaction, at incident energies. Transmission coefficients range from zero to unity, depending upon the incident energy. Normal modes of vibrations are displayed along the reaction path.
引用
收藏
页码：454 / 460
页数：6
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