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题名: Quasi-classical trajectory study of the DCl/HCl product branching ratios for the Cl+ HD reaction on BW2 potential energy surface
作者: Chen, MD;  Tang, BY;  Han, KL;  Lou, NQ
刊名: CHEMICAL PHYSICS LETTERS
发表日期: 2001-04-06
卷: 337, 期:4-6, 页:349-354
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Physical ;  Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Chemistry ;  Physics
英文摘要: The dynamics of the Cl + HD reaction has been studied by means of quasi-classical trajectory calculations on BW2 potential energy surface. The integral cross-sections versus collision energy and the DCl/HCl product branching ratios calculated quasi-classically on BW2 potential energy surface predict a clear preference to the production of DCl over HCl, The computed results also show that the integral cross-sections and the DCl/HCl product branching ratios strongly depend on the initial rotational quantum numbers j and the vibrational quantum numbers v, The calculated results are in reasonable agreement with experimental data, and some other theoretical results as well. (C) 2001 Elsevier Science B,V. All rights reserved.
关键词[WOS]: DEPENDENT QUANTUM DYNAMICS ;  RATE COEFFICIENTS ;  ROTATIONAL POLARIZATION ;  CL+HD->HCL(DCL)+D(H) ;  SCATTERING ;  EXCITATION ;  MOLECULES ;  ALIGNMENT ;  EXCHANGE ;  SYSTEM
语种: 英语
WOS记录号: WOS:000167984300019
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/139001
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China

Recommended Citation:
Chen, MD,Tang, BY,Han, KL,et al. Quasi-classical trajectory study of the DCl/HCl product branching ratios for the Cl+ HD reaction on BW2 potential energy surface[J]. CHEMICAL PHYSICS LETTERS,2001,337(4-6):349-354.
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