DICP OpenIR
State-to-state quantum reactive scattering for four-atom chemical reactions: Differential cross section for the H+H2O -> H-2+OH abstraction reaction
Zhang, Dong H.
Source PublicationJOURNAL OF CHEMICAL PHYSICS
2006-10-07
DOI10.1063/1.2217439
Volume125Issue:13
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectPhysics, Atomic, Molecular & Chemical
WOS Research AreaPhysics
WOS KeywordPOTENTIAL-ENERGY SURFACES ; CENTRIFUGAL SUDDEN APPROXIMATION ; DIATOM-DIATOM REACTIONS ; REACTION DYNAMICS ; REACTION PROBABILITIES ; DIMENSIONAL QUANTUM ; H-2+OH REACTION ; BIMOLECULAR REACTION ; RATE COEFFICIENTS ; RATE CONSTANTS
AbstractThe time-dependent wave packet method was extended to calculate the state-to-state differential cross section for the title four-atom abstraction reaction with H2O in the ground rovibrational state. One spectator OH bond length was fixed in the study, but the remaining five degrees of freedom were treated exactly. It was found that (a) the differential cross section changes from being strongly backward peaked at low collision energy to sideward scattering at E=1.4 eV, and (b) the rotational state-resolved differential cross section for H-2 differs substantially from that for OH. (c) 2006 American Institute of Physics.
Language英语
WOS IDWOS:000241056600011
Citation statistics
Cited Times:59[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/140271
Collection中国科学院大连化学物理研究所
Affiliation1.Chinese Acad Sci, Dalian Inst Chem Phys, Ctr Theoret & Computat Chem, Dalian 116023, Peoples R China
2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
Recommended Citation
GB/T 7714
Zhang, Dong H.. State-to-state quantum reactive scattering for four-atom chemical reactions: Differential cross section for the H+H2O -> H-2+OH abstraction reaction[J]. JOURNAL OF CHEMICAL PHYSICS,2006,125(13).
APA Zhang, Dong H..(2006).State-to-state quantum reactive scattering for four-atom chemical reactions: Differential cross section for the H+H2O -> H-2+OH abstraction reaction.JOURNAL OF CHEMICAL PHYSICS,125(13).
MLA Zhang, Dong H.."State-to-state quantum reactive scattering for four-atom chemical reactions: Differential cross section for the H+H2O -> H-2+OH abstraction reaction".JOURNAL OF CHEMICAL PHYSICS 125.13(2006).
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