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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
Source PublicationCHEMICAL PHYSICS LETTERS
2002-05-17
Volume357Issue:5-6Pages:483-490
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectChemistry, Physical ; Physics, Atomic, Molecular & Chemical
WOS Research AreaChemistry ; Physics
WOS KeywordPRODUCT ROTATIONAL POLARIZATION ; DIFFERENTIAL CROSS-SECTIONS ; PHOTOINITIATED BIMOLECULAR REACTIONS ; STATE-RESOLVED STEREODYNAMICS ; ANGULAR-MOMENTUM POLARIZATION ; VIBRATIONALLY EXCITED METHANE ; CHEMICAL-REACTIONS ; SCATTERING-ANGLE ; ALIGNMENT ; DISTRIBUTIONS
AbstractThe 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.
Language英语
WOS IDWOS:000175958900025
Citation statistics
Cited Times:154[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/139120
Collection中国科学院大连化学物理研究所
AffiliationChinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Ctr Computat Chem, Dalian 116023, Peoples R China
Recommended Citation
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.
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