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• W2009430822 abstract "Stereodynamics of the reaction Li + HF (v = 0,j = 0) → LiF + H and its isotopic variants on the ground electronic state (1 2 A′) potential energy surface (PES) are studied by employing the quasiclassical trajectory (QCT) method. At a collision energy of 2.2 kcal/mol, product rotational angular momentum distributions, P(θ r ) and P(ϕ r ), are calculated in the center-of-mass (CM) frame. The results demonstrate that the product rotational angular momentum j ′ is not only aligned along the direction perpendicular to the reagent relative velocity vector k, but also oriented along the negative y-axis. The four generalized polarization-dependent differential cross sections (PDDCSs) are also computed. The PDDCS 00 distribution shows a sideways scattering for the reaction Li + HF and a strongly backward scattering for the reaction Li + DF . However, it displays both the forward and backward scatterings for the reaction Li + TF . These features demonstrate that the Li + HF and Li + DF reactions proceed predominantly through the direct reaction mechanism. However, the Li + TF reaction undergoes both the direct and indirect reaction mechanisms. The PDDCS 21- distribution indicates that the product angular distributions are anisotropic." @default.
• W2009430822 created "2016-06-24" @default.
• W2009430822 creator A5002644004 @default.
• W2009430822 creator A5086578535 @default.
• W2009430822 date "2013-04-19" @default.
• W2009430822 modified "2023-09-23" @default.
• W2009430822 title "QUASICLASSICAL TRAJECTORY STUDY OF STEREODYNAMICS FOR THE REACTIONS Li+HF/DF/TF" @default.
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• W2009430822 doi "https://doi.org/10.1142/s0219633613500089" @default.
• W2009430822 hasPublicationYear "2013" @default.
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