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Quasiclassical trajectory study of the reaction NH(X-3 Sigma(-))+H -> N(S-4)+H-2
Xu, LJ; Wang, XB; Yan, JM; Kong, FA
1998-07-01
Source PublicationCHINESE JOURNAL OF CHEMISTRY
ISSN1001-604X
Volume16Issue:4Pages:336-345
AbstractThe dynamics of the NH + H --> N + H-2 reaction has been investigated by means of the 3D quasiclassical trajectory approach by using the LEPS potential energy surface. The calculated rate coefficient is in good agreement with the experimental value. The reaction was found to occur via a direct channel. The product H-2 has a cold excitation of rotational state, but has a reverse distribution of the vibrational state with a peak at upsilon=1. Based on the potential energy surface and the trajectory analysis, the reaction mechanism has been explained successfully.
KeywordNh + h Reaction Quasiclassical Trajectory Potential Energy Surface Direct Channel
Indexed BySCI
Language英语
WOS IDWOS:000075787800007
PublisherSCIENCE PRESS
Citation statistics
Cited Times:1[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/74706
Collection中国科学院化学研究所
Corresponding AuthorXu, LJ
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. Quasiclassical trajectory study of the reaction NH(X-3 Sigma(-))+H -> N(S-4)+H-2[J]. CHINESE JOURNAL OF CHEMISTRY,1998,16(4):336-345.
APA Xu, LJ,Wang, XB,Yan, JM,&Kong, FA.(1998).Quasiclassical trajectory study of the reaction NH(X-3 Sigma(-))+H -> N(S-4)+H-2.CHINESE JOURNAL OF CHEMISTRY,16(4),336-345.
MLA Xu, LJ,et al."Quasiclassical trajectory study of the reaction NH(X-3 Sigma(-))+H -> N(S-4)+H-2".CHINESE JOURNAL OF CHEMISTRY 16.4(1998):336-345.
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