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Journal
2011 | 9 | 5 | 1221-1227
Article title

Stereodynamics of the reaction He+H2+ → HeH+ + H: a theoretical study

Content
Title variants
Languages of publication
EN
Abstracts
EN
Quasiclassical trajectory method for the title reaction He +H2+ → HeH+ + H was carried out on the potential energy surface which was revised by Aquilanti et al. [Chem. Phys. Lett. 469, 26 (2009)]. The initial vibrational quantum number of reactant was set as v=1, v=2 and v=3. Stereodynamics information of the reaction was obtained, such as the distributions of product angular momentum P(θ
r), P(ϕ
r),p(ϕ
r, θ
r) and the two commonly used polarization-dependent differential cross sections (PDDCSs) (2π/σ)(dσ
00/dω
t) and (2π/σ)(dσ
20/dω
t), to get the alignment and orientation of product molecules. The results show that the influence of both the collision energy and vibrational quantum number (v) to the reaction are highly sensitive.
Publisher

Journal
Year
Volume
9
Issue
5
Pages
1221-1227
Physical description
Dates
published
1 - 10 - 2011
online
15 - 9 - 2011
Contributors
author
  • School of Materials Science and Engineering, Dalian University of Technology, Dalian, 116024, China
author
  • Department of Chemistry, Hebei Normal University of Science and Technology, Qinhuangdao, 066600, China
author
  • School of Materials Science and Engineering, Dalian University of Technology, Dalian, 116024, China, zhangwpdlut@126.com
author
  • College of Physics, Chongqing University, Chongqing, China
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Document Type
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.-psjd-doi-10_2478_s11534-011-0015-6
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