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Quasi-classical trajectory study of the DCl/HCl product branching ratios for the Cl+ HD reaction on BW2 potential energy surface
Chen, MD; Tang, BY; Han, KL; Lou, NQ
刊名CHEMICAL PHYSICS LETTERS
2001-04-06
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
关键词[WOS]DEPENDENT QUANTUM DYNAMICS ; RATE COEFFICIENTS ; ROTATIONAL POLARIZATION ; CL+HD->HCL(DCL)+D(H) ; SCATTERING ; EXCITATION ; MOLECULES ; ALIGNMENT ; EXCHANGE ; SYSTEM
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.
语种英语
WOS记录号WOS:000167984300019
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被引频次:23[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/139001
专题中国科学院大连化学物理研究所
作者单位Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
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GB/T 7714
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.
APA Chen, MD,Tang, BY,Han, KL,&Lou, NQ.(2001).Quasi-classical trajectory study of the DCl/HCl product branching ratios for the Cl+ HD reaction on BW2 potential energy surface.CHEMICAL PHYSICS LETTERS,337(4-6),349-354.
MLA Chen, MD,et al."Quasi-classical trajectory study of the DCl/HCl product branching ratios for the Cl+ HD reaction on BW2 potential energy surface".CHEMICAL PHYSICS LETTERS 337.4-6(2001):349-354.
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