DICP OpenIR
学科主题物理化学
Accurate quantum reactive scattering studies of chemical reaction dynamics
Zhang DH(张东辉)
会议名称IXth Workshop on Quantum Reactive Scattering
会议日期2007-7-18
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
页码D1/2
部门归属十一室
主办者英国剑桥大学
英文摘要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
文献类型会议论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/112518
专题中国科学院大连化学物理研究所
通讯作者Zhang DH(张东辉)
推荐引用方式
GB/T 7714
Zhang DH. Accurate quantum reactive scattering studies of chemical reaction dynamics[C],2007:D1/2.
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