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Quasi-classical trajectory study on the H++H-2 reaction
Hui Song; Xiu-Yan Wang; Skodje, Rex. T.; Xue-ming Yang
KeywordIon-molecule Reaction Dynamics Classical Trajectory Calculations
Source PublicationCHINESE JOURNAL OF CHEMICAL PHYSICS
2006-10-27
DOI10.1360/cjcp2OO6.19(5).375.4
Volume19Issue:5Pages:375-378
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectPhysics, Atomic, Molecular & Chemical
WOS Research AreaPhysics
WOS KeywordCHEMICAL-REACTIONS ; SURFACE ; SYSTEM ; TRANSITIONS ; H+ ; D2
AbstractQuasi-classical trajectory (QCT) calculations on the H++H-2 reaction system were carried out on a new potential energy surface (PES). Theoretical calculations show that the angular distribution of the forward and backward products is roughly symmetric for the title reaction. The product rotational state distribution was also determined at a few collision energies. In the collision energy range from 0.124 eV to 1.424 eV, the integral cross section for this system monotonically decreases with the collision energy. A comparison with the experimental result of the ion-molecule reaction was also made, the agreement is generally good.
Language英语
WOS IDWOS:000242001700001
Citation statistics
Cited Times:6[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/140314
Collection中国科学院大连化学物理研究所
AffiliationChinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
Recommended Citation
GB/T 7714
Hui Song,Xiu-Yan Wang,Skodje, Rex. T.,et al. Quasi-classical trajectory study on the H++H-2 reaction[J]. CHINESE JOURNAL OF CHEMICAL PHYSICS,2006,19(5):375-378.
APA Hui Song,Xiu-Yan Wang,Skodje, Rex. T.,&Xue-ming Yang.(2006).Quasi-classical trajectory study on the H++H-2 reaction.CHINESE JOURNAL OF CHEMICAL PHYSICS,19(5),375-378.
MLA Hui Song,et al."Quasi-classical trajectory study on the H++H-2 reaction".CHINESE JOURNAL OF CHEMICAL PHYSICS 19.5(2006):375-378.
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