Investigation of isotope effects of dynamic properties for H(D) + OF reactions by the quasi-classical trajectory method

被引：3
|
作者：
赵娟 [1 ]
许燕 [1 ]
孟庆田 [1 ]
机构：
[1] College of Physics and Electronics,Shandong Normal University
来源：
Chinese Physics B | 2010年 / 19卷 / 06期
基金：
中国国家自然科学基金;
关键词：
isotope effects; H(D) + OF reactions; quasi-classical trajectory;
D O I：
暂无
中图分类号：
O562.6 [同位素];
学科分类号：
摘要：
Quasi-classical trajectory (QCT) calculations are employed to study the dynamic properties for H(D)+OF reactions on the adiabatic potential energy surface (PES) of the 1 3 A″ triplet state.Obvious differences between the reaction probabilities for J=0,integral cross sections for J ≠0,branch ratios of the product and internuclear distances as well as product rotational alignments between the title reactions are found.These differences are attributed mainly to the different reduced masses of the reactants and the different zero-point energies (ZPEs) of the transition state.
引用
收藏
页码：276 / 280
页数：5
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