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  1. 1 Chen T.

  2. 1 Wang X.

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

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Chen T., Zhao N., Zhang W., Wang X.
Open Physics
|
2011
|
vol. 9
|
issue 5
1221-1227
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.
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