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题名: Influence of Isotope Effects on Product Polarizations of N(D-2)+D-2, N(D-2)+H-2 and N(D-2) plus HD Reactive Systems
作者: Nie Shan-shan1;  Chu Tian-shu1, 2
关键词: Isotope effect ;  Product polarization ;  Quasi-classical trajectory calculation ;  Potential energy surface
刊名: CHEMICAL RESEARCH IN CHINESE UNIVERSITIES
发表日期: 2012-09-01
卷: 28, 期:5, 页:897-902
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: To figure out the influence of isotope effect on product polarizations of the N(D-2)+D-2 reactive system and its isotope variants, quasi-classical trajectory(QCT) calculation was performed on Ho's potential energy surface(PES) of (2)A '' state. Product polarizations such as product distributions of P(theta(r)), P(phi(r)) and P(theta(r),phi(r)), as well as the generalized polarization-dependent differential cross sections(PDDCSs) were discussed and compared in detail among the four product channels of the title reactions. Both the intermolecular and intramolecular isotope effects were proved to be influential on product polarizations.
关键词[WOS]: POTENTIAL-ENERGY SURFACE ;  INITIATED BIMOLECULAR REACTIONS ;  QUANTUM WAVE-PACKET ;  ROTATIONAL POLARIZATION ;  TRANSITION-STATE ;  CROSS-SECTIONS ;  DYNAMICS ;  ALIGNMENT ;  STEREODYNAMICS ;  N(2(2)D)
语种: 英语
WOS记录号: WOS:000312475400032
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/143084
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.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
2.Qingdao Univ, Inst Computat Sci & Engn, Lab New Fiber Mat & Modern Text, Growing Base State Key Lab, Qingdao 266071, Peoples R China

Recommended Citation:
Nie Shan-shan,Chu Tian-shu. Influence of Isotope Effects on Product Polarizations of N(D-2)+D-2, N(D-2)+H-2 and N(D-2) plus HD Reactive Systems[J]. CHEMICAL RESEARCH IN CHINESE UNIVERSITIES,2012,28(5):897-902.
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