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Experimental and theoretical investigations of the O(D-1) reaction with cyclopropane
Wang, CC; Shu, J; Lin, JJ; Lee, YT; Yang, XM; Nguyen, TL; Mebel, AM
刊名JOURNAL OF CHEMICAL PHYSICS
2002-05-15
DOI10.1063/1.1466468
116期:19页:8292-8299
收录类别SCI
文章类型Article
WOS标题词Science & Technology ; Physical Sciences
类目[WOS]Physics, Atomic, Molecular & Chemical
研究领域[WOS]Physics
关键词[WOS]DENSITY-FUNCTIONAL THERMOCHEMISTRY ; QUADRATIC CONFIGURATION-INTERACTION ; POTENTIAL-ENERGY SURFACE ; COUPLED-CLUSTER SINGLES ; VIBRATIONAL DISTRIBUTION ; GAUSSIAN-2 ; O(1D2) ; CH3 ; HYDROCARBONS ; O((1)D)
英文摘要In this report, the O(D-1)+c-C3H6 reaction has been investigated using the universal crossed molecular beam technique. Angular resolved time-of-flight spectra have been measured for the observed reaction products in a single set of experiments. Four reaction channels have been observed clearly for this reaction. In addition to the OH+C3H5 channel, the two microchannels for C2H4 formation and the H-atom formation channel are also present. Different product angular distributions were measured for the observed product channels, indicating that each reaction channel occurs with distinctive dynamics. Branching ratios for all observed reaction channels have also been estimated. High-level theoretical calculations have been performed on the energetics of this reaction, indicating two major insertion pathways are likely responsible for most of the reaction channels. (C) 2002 American Institute of Physics.
语种英语
WOS记录号WOS:000175297600007
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被引频次:9[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/321008/139142
专题中国科学院大连化学物理研究所
作者单位1.Acad Sinica, Inst Atom & Mol Sci, Hsinchu, Taiwan
2.Natl Tsing Hua Univ, Dept Chem, Hsinchu, Taiwan
3.Chinese Acad Sci, Dalian Inst Chem Phys, Dalian, Peoples R China
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Wang, CC,Shu, J,Lin, JJ,et al. Experimental and theoretical investigations of the O(D-1) reaction with cyclopropane[J]. JOURNAL OF CHEMICAL PHYSICS,2002,116(19):8292-8299.
APA Wang, CC.,Shu, J.,Lin, JJ.,Lee, YT.,Yang, XM.,...&Mebel, AM.(2002).Experimental and theoretical investigations of the O(D-1) reaction with cyclopropane.JOURNAL OF CHEMICAL PHYSICS,116(19),8292-8299.
MLA Wang, CC,et al."Experimental and theoretical investigations of the O(D-1) reaction with cyclopropane".JOURNAL OF CHEMICAL PHYSICS 116.19(2002):8292-8299.
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