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A detailed dynamics study of the reaction CH4+Cl -> HCl+CH3
Xu, LJ; Wang, XB; Yan, JM; Kong, FA
1998-08-01
Source PublicationCHINESE CHEMICAL LETTERS
ISSN1001-8417
Volume9Issue:8Pages:771-774
AbstractThe detailed dynamics of the CH4 + Cl --> HCl + CH3 reaction has been investigated by means of the quasiclassical trajectory approach. The properties analyzed can be interpreted in terms of the main topological features of the potential energy surface used. On the basis of the theoretical results, two reaction channels are proposed: one is a direct channel and the other is a complex one.
KeywordQuasiclassical Trajectory Calculation Leps Potential Energy Surface
Indexed BySCI
Language英语
WOS IDWOS:000083722500025
PublisherCHINESE CHEMICAL SOCIETY
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Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/74640
Collection中国科学院化学研究所
AffiliationChinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing 100080, Peoples R China
Recommended Citation
GB/T 7714
Xu, LJ,Wang, XB,Yan, JM,et al. A detailed dynamics study of the reaction CH4+Cl -> HCl+CH3[J]. CHINESE CHEMICAL LETTERS,1998,9(8):771-774.
APA Xu, LJ,Wang, XB,Yan, JM,&Kong, FA.(1998).A detailed dynamics study of the reaction CH4+Cl -> HCl+CH3.CHINESE CHEMICAL LETTERS,9(8),771-774.
MLA Xu, LJ,et al."A detailed dynamics study of the reaction CH4+Cl -> HCl+CH3".CHINESE CHEMICAL LETTERS 9.8(1998):771-774.
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