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THE STEREODYNAMICS STUDY OF THE C(P-3) plus OH (X-2 Pi) -> CO(X-1 Sigma(+)) + H(S-2) REACTION
Song, Peng1,2; Zhu, Yong-Hua1; Liu, Jian-Yong2; Ma, Feng-Cai1
KeywordQct Collision Energy Stereodynamics
Source PublicationJOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY
2010-10-01
DOI10.1142/S0219633610006109
Volume9Issue:5Pages:935-943
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectChemistry, Multidisciplinary
WOS Research AreaChemistry
WOS KeywordPRODUCT ROTATIONAL POLARIZATION ; POTENTIAL-ENERGY SURFACE ; BIMOLECULAR REACTION ; CHEMICAL-REACTIONS ; REACTION DYNAMICS ; ANGULAR-MOMENTUM ; ALIGNMENT ; COLLISIONS ; MOLECULES ; STATE
AbstractThe stereodynamics of the title reaction on the ground electronic state X-2 A' potential energy surface (PES)(1) has been studied using the quasiclassical trajectory (QCT) method. The commonly used polarization-dependent differential cross-sections (PDDCSs) of the product and the angular momentum alignment distribution, P(theta(r)) and P(Phi(r)), are generated in the center-of-mass frame using QCT method to gain insight of the alignment and orientation of the product molecules. Influence of collision energy on the stereodynamics is shown and discussed. The results reveal that the distribution of P(theta(r)) and P(Phi(r)) is sensitive to collision energy. The PDDCSs exhibit different collision energy dependency relationship at low and high collision energy ranges.
Language英语
WOS IDWOS:000284854400009
Citation statistics
Cited Times:3[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/141746
Collection中国科学院大连化学物理研究所
Affiliation1.Liaoning Univ, Dept Phys, Shenyang 110036, Peoples R China
2.Chinese Acad Sci, State Key Lab Mol React Dynam, Dalian Inst Chem Phys, Dalian 116023, Peoples R China
Recommended Citation
GB/T 7714
Song, Peng,Zhu, Yong-Hua,Liu, Jian-Yong,et al. THE STEREODYNAMICS STUDY OF THE C(P-3) plus OH (X-2 Pi) -> CO(X-1 Sigma(+)) + H(S-2) REACTION[J]. JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY,2010,9(5):935-943.
APA Song, Peng,Zhu, Yong-Hua,Liu, Jian-Yong,&Ma, Feng-Cai.(2010).THE STEREODYNAMICS STUDY OF THE C(P-3) plus OH (X-2 Pi) -> CO(X-1 Sigma(+)) + H(S-2) REACTION.JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY,9(5),935-943.
MLA Song, Peng,et al."THE STEREODYNAMICS STUDY OF THE C(P-3) plus OH (X-2 Pi) -> CO(X-1 Sigma(+)) + H(S-2) REACTION".JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY 9.5(2010):935-943.
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