Vector correlation in the H+D-2 reaction and its isotopic variants: isotope effect on stereodynamics

	Vector correlation in the H+D-2 reaction and its isotopic variants: isotope effect on stereodynamics
	Chen, MD; Han, KL; Lou, NQ
刊名	chemical physics letters
	2002-05-17
卷号	357 期号:5-6 页码:483-490
英文摘要	the vector correlations in the h + d-2 reaction and its isotopic variants at a collision energy of 35.7 kcal/mol have been studied by using quasiclassical trajectories on two potential energy surfaces (pess), one from bkmp2, and the other from lsth. and the isotope effect on dynamical stereochemistry is discussed in detail. the calculations indicate that the distribution of the product angular momentum vector is sensitive to the mass factor. the agreement of the results calculated on both the lsth and bkmp2 pess probably implies that the product rotational polarization is mainly controlled by the saddle point properties on pes, (c) 2002 published by elsevier science b.v.
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]	product rotational polarization ; differential cross-sections ; photoinitiated bimolecular reactions ; state-resolved stereodynamics ; angular-momentum polarization ; vibrationally excited methane ; chemical-reactions ; scattering-angle ; alignment ; distributions
收录类别	SCI
语种	英语
WOS记录号	WOS:000175958900025
公开日期	2015-11-10
内容类型	期刊论文
源URL	[http://159.226.238.44/handle/321008/139120]
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
作者单位	Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Ctr Computat Chem, Dalian 116023, Peoples R China
推荐引用方式 GB/T 7714	Chen, MD,Han, KL,Lou, NQ. Vector correlation in the H+D-2 reaction and its isotopic variants: isotope effect on stereodynamics[J]. chemical physics letters,2002,357(5-6):483-490.
APA	Chen, MD,Han, KL,&Lou, NQ.(2002).Vector correlation in the H+D-2 reaction and its isotopic variants: isotope effect on stereodynamics.chemical physics letters,357(5-6),483-490.
MLA	Chen, MD,et al."Vector correlation in the H+D-2 reaction and its isotopic variants: isotope effect on stereodynamics".chemical physics letters 357.5-6(2002):483-490.