引用本文:
【打印本页】   【HTML】   【下载PDF全文】   View/Add Comment  【EndNote】   【RefMan】   【BibTex】
←前一篇|后一篇→ 过刊浏览    高级检索
本文已被:浏览 1098次   下载 878 本文二维码信息
码上扫一扫!
分享到: 微信 更多
Quasi-classical Trajectory Study of Ba+HI→BaI+H Reaction
V. N. Atasie*
Author NameAffiliationE-mail
V. N. Atasie* Department of Chemical Sciences, Bells University of Technology, Ota, Ogun State, Nigeria docvnatasie@yahoo.com 
Abstract:
The quasi-classical trajectory calculations based on extended London-Eyring-Polanyi-Sato potential energy surface have been used to study the reaction of Ba+HI→BaI+H system. The rotational, vibrational, translational, and angular distributions of the product BaI have been calculated. The calculated results are in good agreement with the experimental ones.
Key words:  Quasi-classical trajectory calculation, London-Eyring-Polanyi-Sato potential energy surface, Ba+HI reaction
FundProject:
Ba+HI→BaI+H反应的准经典轨迹研究
V. N. Atasie*
摘要:
采用准经典轨迹的方法在扩展的London-Eyring-Polanyi-Sato势能面上对Ba+HI→BaI+H反应研究. 计算了产物BaI的转动、振动、平移和角分布、计算结果与实验值一致.
关键词:  准经典轨迹计算,扩展的London-Eyring-Polanyi-Sato势能面,Ba+HI反应
DOI:10.1088/1674-0068/23/05/570-572
分类号: