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Stereodynamics of the reaction H + LiH (v = 0, j = 0) → H2 + Li and its isotopic variants

✍ Scribed by Yufang Liu; Xiaohu He; Deheng Shi; Jinfeng Sun

Publisher
Elsevier
Year
2011
Tongue
English
Weight
339 KB
Volume
965
Category
Article
ISSN
2210-271X

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✦ Synopsis

Quasi-classical trajectory (QCT) method is used to calculate the stereodynamics of the reactions H + LiH (v = 0, j = 0) ? H 2 + Li and its isotopic variants based on the ground electronic state potential energy surface (PES) reported by Prudente et al. [14]. The reactive probabilities of the title reactions are computed. We also observed the changes of vector correlations and four generalized polarization-dependent differential cross-sections (PDDCSs) at different collision energies, and we compared the stereodynamics among different isotopic variants of the title reactions. The product polarization distribution of the title reactions exhibits distinct difference which may arise from different mass combinations or kinetic energies.

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