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Effect of Coriolis coupling in chemical reaction dynamics
Chu, Tian-Shu1,2; Han, Ke-Li1; Han KL(韩克利)
Source PublicationPHYSICAL CHEMISTRY CHEMICAL PHYSICS
2008
DOI10.1039/b715180b
Volume10Issue:18Pages:2431-2441
Indexed BySCI
SubtypeReview
Department11
Funding Project1101
Contribution Rank1;1
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectChemistry, Physical ; Physics, Atomic, Molecular & Chemical
WOS Research AreaChemistry ; Physics
WOS KeywordQUANTUM WAVE-PACKET ; MECHANICAL CROSS-SECTIONS ; POTENTIAL-ENERGY SURFACES ; ANGULAR-MOMENTUM J-GREATER-THAN-0 ; ATOM-DIATOM COLLISIONS ; ION-MOLECULE REACTIONS ; HO2 BOUND-STATES ; RATE CONSTANTS ; F+H-2 REACTION ; SCATTERING
AbstractIt is essential to evaluate the role of Coriolis coupling effect in molecular reaction dynamics. Here we consider Coriolis coupling effect in quantum reactive scattering calculations in the context of both adiabaticity and nonadiabaticity, with particular emphasis on examining the role of Coriolis coupling effect in reaction dynamics of triatomic molecular systems. We present the results of our own calculations by the time-dependent quantum wave packet approach for H + D(2) and F((2)P(3/2), (2)P(1/2)) + H(2) as well as for the ion-molecule collisions of He + H(2)(+), D(-) + H(2), H(-) + D(2), and D(+) + H(2), after reviewing in detail other related research efforts on this issue.
Language英语
URL查看原文
WOS IDWOS:000255449200001
Citation statistics
Cited Times:281[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/101121
Collection中国科学院大连化学物理研究所
Corresponding AuthorHan KL(韩克利)
Affiliation1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
2.Qingdao Univ, Inst Computat Sci & Engn, Qingdao 266071, Peoples R China
Recommended Citation
GB/T 7714
Chu, Tian-Shu,Han, Ke-Li,Han KL. Effect of Coriolis coupling in chemical reaction dynamics[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2008,10(18):2431-2441.
APA Chu, Tian-Shu,Han, Ke-Li,&韩克利.(2008).Effect of Coriolis coupling in chemical reaction dynamics.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,10(18),2431-2441.
MLA Chu, Tian-Shu,et al."Effect of Coriolis coupling in chemical reaction dynamics".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 10.18(2008):2431-2441.
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