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	Accurate Theoretical Study of Chemical Reaction Dynamics
	Zhang DH(张东辉)
	2008-09-13
会议名称	the 8th congress of world association of theoretical and computational chemists-watoc08
会议日期	2008-9-13
会议地点	澳大利亚
页码	il095/2
通讯作者	dong hui zhang
中文摘要	i will present some of our recent work on theoretical studies of chemical reaction dynamics at a quantitative level which combines accurately constructed potential energy surfaces and quantum reactive scattering calculations. i will first introduce a new hierarchical construction scheme for accurate potential energy surface generation, with applications to the h + h2 and f + h2 reaction [1]. following that, i will show some dynamical results for f + h2 and f + hd reactions, and compare these with the most recent experiments on these systems [2－4]. if time permits, i will briefly report the progress we have made on the dynamics study of the h + ch4 reaction at the end of the talk.
会议主办者	澳大利亚
学科主题	物理化学
语种	中文
内容类型	会议论文
源URL	[http://159.226.238.44/handle/321008/112944]
专题	大连化学物理研究所_中国科学院大连化学物理研究所
推荐引用方式 GB/T 7714	Zhang DH. Accurate Theoretical Study of Chemical Reaction Dynamics[C]. 见:the 8th congress of world association of theoretical and computational chemists-watoc08. 澳大利亚. 2008-9-13.

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