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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
关键词Qct Collision Energy Stereodynamics
刊名JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY
2010-10-01
DOI10.1142/S0219633610006109
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
关键词[WOS]PRODUCT ROTATIONAL POLARIZATION ; POTENTIAL-ENERGY SURFACE ; BIMOLECULAR REACTION ; CHEMICAL-REACTIONS ; REACTION DYNAMICS ; ANGULAR-MOMENTUM ; ALIGNMENT ; COLLISIONS ; MOLECULES ; STATE
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.
语种英语
WOS记录号WOS:000284854400009
引用统计
被引频次:3[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/141746
专题中国科学院大连化学物理研究所
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
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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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