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学科主题: 物理化学
题名: Quantum Reactive Scattering Study of H+CD4 With TD-WF Method
作者: Zhou Y(周勇) ;  Zhang DH(张东辉)
会议名称: XXIII International Symposium on Molecular Beams
会议日期: 2009-6-1
出版日期: 2009-06-01
会议地点: 中国
通讯作者: 张东辉
部门归属: 十一室
主办者: 中国科学院大连化学物理研究所
摘要: The initial state selected time-dependent wave packet calculations (TD-WF) have been carried out to study the title reaction with seven degrees of freedom included by restricting the non-reacting CD3 group under C3V symmetry and the C-D bond length in the group. Total reaction probabilities as well as integral cross section (ICS) were calculated for the ground vibration state. A comparison is also made with the latest experimental result, which shows greatly consistent. Additionally, flux through the transition state (TS) has been analyzed in order to probe the detailed reaction mechanism.
语种: 中文
内容类型: 会议论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/113970
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:
Zhou Y,Zhang DH. Quantum Reactive Scattering Study of H+CD4 With TD-WF Method[C]. 见:XXIII International Symposium on Molecular Beams. 中国. 2009-6-1.
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