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学科主题: 物理化学
题名: Accurate quantum reactive scattering studies of chemical reaction dynamics
作者: Zhang DH(张东辉)
会议名称: IXth Workshop on Quantum Reactive Scattering
会议日期: 2007-7-18
出版日期: 2007-07-18
会议地点: 英国
其他题名: 化学反应动力学的精确的量子反应散射研究
通讯作者: 张东辉
部门归属: 十一室
主办者: 英国剑桥大学
摘要: I will talk about some of our recent work on accurate quantum reactive scattering study of chemical reactions on new accurate ab initio potential energy surfaces. I will begin by showing very detailed quantum dynamics results for the F+H2/HD reactions in close comparison with available experiments, in particular the very new experiments from Xueming Yang''s lab. In remaining time, I will present our eight dimensional quantum dynamics results for the H+CH4 reaction.In this study, we only restrict the non-reacting CH3 group under C3V symmetry. The role of the first symmetric and asymmetric stretch excitations of CH4 on the reaction dynamics will be discussed in my talk.
语种: 中文
内容类型: 会议论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/112518
Appears in Collections:中国科学院大连化学物理研究所_会议论文

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Recommended Citation:
Zhang DH. Accurate quantum reactive scattering studies of chemical reaction dynamics[C]. 见:IXth Workshop on Quantum Reactive Scattering. 英国. 2007-7-18.
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