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题名: The dynamics of the D-2 + OH -> HOD plus D reaction: A combined theoretical and experimental study
作者: Liu, Shu;  Xiao, Chunlei;  Wang, Tao;  陈俊;  Yang, Tiangang;  Xu, Xin;  Zhang, Dong H.1;  Yang, Xueming
刊名: FARADAY DISCUSSIONS
发表日期: 2012
DOI: 10.1039/c2fd20018j
卷: 157, 页:101-111
收录类别: SCI
文章类型: Article
类目[WOS]: Chemistry, Physical
研究领域[WOS]: Chemistry
英文摘要: A combined theoretical and experimental study has been carried out to show the current status of comparison between experiment and theory on the title reaction. Differential cross sections and product relative translational energy distributions at collision energies of 0.25 and 0.34 eV, as well as the collision energy dependence of differential cross section in the backward direction have been measured by using crossed molecular beam experiment with D-atom Rydberg tagging technique. Theoretically, the time-dependent wave packet method has been employed to calculate state-to-state differential cross sections for the title reaction in full dimension. It is found that the experimental observations are in good accord with those of Davis and coworkers at the collision energy of 0.28 eV [Science, 290, 958 (2000)]. The overall agreement between theory and experiment on this benchmark four-atom reaction is good, but not perfect. Further studies, both theoretical and experimental, are called to bring a complete agreement between theory and experiment on the reaction.
关键词[WOS]: POTENTIAL-ENERGY SURFACES ;  CENTRIFUGAL SUDDEN APPROXIMATION ;  FULL-DIMENSIONAL QUANTUM ;  PRODUCT VIBRATIONAL DISTRIBUTIONS ;  STATE REACTION PROBABILITIES ;  DIFFERENTIAL CROSS-SECTIONS ;  DIATOM-DIATOM REACTIONS ;  4-ATOM REACTIONS ;  H-2+OH REACTION ;  ANGULAR-DISTRIBUTIONS
语种: 英语
WOS记录号: WOS:000309137600006
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/142853
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, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
2.Chinese Acad Sci, Dalian Inst Chem Phys, Ctr Theoret Computat Chem, Dalian 116023, Peoples R China

Recommended Citation:
Liu, Shu,Xiao, Chunlei,Wang, Tao,et al. The dynamics of the D-2 + OH -> HOD plus D reaction: A combined theoretical and experimental study[J]. FARADAY DISCUSSIONS,2012,157:101-111.
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