THE STEREODYNAMICS STUDY OF THE C(P-3) plus OH (X-2 Pi) -> CO(X-1 Sigma(+)) + H(S-2) REACTION
文献类型:期刊论文
作者 | Song, Peng1,2; Zhu, Yong-Hua1; Liu, Jian-Yong2; Ma, Feng-Cai1 |
刊名 | journal of theoretical & computational chemistry
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出版日期 | 2010-10-01 |
卷号 | 9期号:5页码:935-943 |
关键词 | QCT collision energy stereodynamics |
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. |
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 |
收录类别 | SCI |
语种 | 英语 |
WOS记录号 | WOS:000284854400009 |
公开日期 | 2015-11-17 |
源URL | [http://159.226.238.44/handle/321008/141746] ![]() |
专题 | 大连化学物理研究所_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 |
推荐引用方式 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. |
入库方式: OAI收割
来源:大连化学物理研究所
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