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2011 | 9 | 5 | 1221-1227
Tytuł artykułu

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

Treść / Zawartość
Warianty tytułu
Języki publikacji
EN
Abstrakty
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.
Wydawca

Czasopismo
Rocznik
Tom
9
Numer
5
Strony
1221-1227
Opis fizyczny
Daty
wydano
2011-10-01
online
2011-09-15
Twórcy
autor
  • School of Materials Science and Engineering, Dalian University of Technology, Dalian, 116024, China
autor
  • Department of Chemistry, Hebei Normal University of Science and Technology, Qinhuangdao, 066600, China
  • School of Materials Science and Engineering, Dalian University of Technology, Dalian, 116024, China, zhangwpdlut@126.com
  • College of Physics, Chongqing University, Chongqing, China
Bibliografia
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Typ dokumentu
Bibliografia
Identyfikatory
Identyfikator YADDA
bwmeta1.element.-psjd-doi-10_2478_s11534-011-0015-6
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