DICP OpenIR
学科主题物理化学
Quantum dynamics studies of chemical reactions: From triatomic
Zhang DH(张东辉)
会议名称2d Chinese French Workshop in Theoretical Chemistry
会议日期2010-5-21
2010-05-21
会议地点中国
其他题名化学反应的量子动力学研究:从三原子体系到多原子体系
页码42/1
部门归属十一室
主办者北京师范大学
英文摘要In this talk, I will present some of our recent work on accurate quantum reactive scattering studies of chemical reactions involving three, four, and six atoms. For triatomic reaction, I will show state-to-state differential cross sections for the H+O2 and O+O2 reactions. These two reactions involve more than one heavy atoms and proceed through deep wells. The very recent development of the reactant-coordinate-based wave packet method made it possible for the first time to calculate differential cross sections for the reactions. For four-atom reactions, I will report the full dimensional quantum reactive scatting calculations of the state-to-state differential cross sections for the benchmark D2+OH reaction. For six-atom reactions, I will present some recent quantum dynamics results for the H+CD4 and F+CHD3 reactions.
语种中文
文献类型会议论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/114066
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. Quantum dynamics studies of chemical reactions: From triatomic[C],2010:42/1.
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