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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
357期:5-6页:483-490
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]PRODUCT ROTATIONAL POLARIZATION ; DIFFERENTIAL CROSS-SECTIONS ; PHOTOINITIATED BIMOLECULAR REACTIONS ; STATE-RESOLVED STEREODYNAMICS ; ANGULAR-MOMENTUM POLARIZATION ; VIBRATIONALLY EXCITED METHANE ; CHEMICAL-REACTIONS ; SCATTERING-ANGLE ; ALIGNMENT ; DISTRIBUTIONS
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.
语种英语
WOS记录号WOS:000175958900025
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被引频次:153[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/321008/139120
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, Ctr Computat Chem, Dalian 116023, Peoples R China
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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.
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