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题名: THE STEREODYNAMICS STUDY OF THE C(P-3) plus OH (X-2 Pi) -> CO(X-1 Sigma(+)) + H(S-2) REACTION
作者: Song, Peng1, 2;  Zhu, Yong-Hua1;  Liu, Jian-Yong2;  Ma, Feng-Cai1
关键词: QCT ;  collision energy ;  stereodynamics
刊名: JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY
发表日期: 2010-10-01
DOI: 10.1142/S0219633610006109
卷: 9, 期:5, 页:935-943
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Multidisciplinary
研究领域[WOS]: Chemistry
英文摘要: The 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.
关键词[WOS]: PRODUCT ROTATIONAL POLARIZATION ;  POTENTIAL-ENERGY SURFACE ;  BIMOLECULAR REACTION ;  CHEMICAL-REACTIONS ;  REACTION DYNAMICS ;  ANGULAR-MOMENTUM ;  ALIGNMENT ;  COLLISIONS ;  MOLECULES ;  STATE
语种: 英语
WOS记录号: WOS:000284854400009
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/141746
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.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:
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.
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