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题名: Theoretical study of stereodynamics for the reaction S(D-1)+D-2
作者: Zhang Zhi-Hong;  Chen Mao-Du;  Cong Shu-Lin;  Han Ke-Li
关键词: stereodynamics ;  long-lived complex ;  polarization-dependent differential cross section ;  polarization parameter
刊名: ACTA PHYSICO-CHIMICA SINICA
发表日期: 2006-05-01
DOI: 10.3866/PKU.WHXB20060509
卷: 22, 期:5, 页:557-560
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Physical
研究领域[WOS]: Chemistry
英文摘要: Stereodynamics for the S(D-1)+D-2 reaction have been studied at a collision energy of 22.18 kJ.mol(-1) on an ab initio potential energy surface by using time-independent quantum reactive scattering theory. The calculated differential cross sections show forward/backward peaking with weakly asymmetry, which is in agreement with the quasiclassical and experimental results. The state-resolved polarization-dependent differential cross sections and polarization parameters show that the product polarization tends toward a less anisotropic distribution, which indicates existence of a long-lived complex during the reaction because of the existence of deep well on the potential energy surface.
关键词[WOS]: INITIO POTENTIAL SURFACE ;  REACTION DYNAMICS ;  D-2 ;  HD ;  POLARIZATION ;  SCATTERING ;  STATE
语种: 英语
WOS记录号: WOS:000237709200009
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/140337
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.Dalian Univ Technol, Dept Phys, 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:
Zhang Zhi-Hong,Chen Mao-Du,Cong Shu-Lin,et al. Theoretical study of stereodynamics for the reaction S(D-1)+D-2[J]. ACTA PHYSICO-CHIMICA SINICA,2006,22(5):557-560.
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