A quasiclassical trajectory test for a potential energy surface of the Li+HF reaction
- 15 December 1982
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 77 (12) , 6341-6342
- https://doi.org/10.1063/1.443840
Abstract
A three-dimensional quasiclassical trajectory study of the Li→HF→LiF+H reaction has been performed on a recently proposed analytical potential energy surface (PES) fitted to ab initio points. The results of the calculations are compared with the experiment. Previous related work on a semiempirical PES is noted.Keywords
This publication has 9 references indexed in Scilit:
- A quantum mechanical collinear study of the reactions Li + FX → LiF + X (X = H, D, T)Chemical Physics Letters, 1982
- Vibrational and translational enhancement of endothermic reactions: K + HCl(υ = 0,1) and K + HF(υ = 0,1)Chemical Physics, 1982
- A classical mechanical study of the LiFH systemChemical Physics, 1981
- Effect of changing reagent energy on reaction dynamics. XI. Dependence of reaction rate on vibrational excitation in endothermic reactions HX(vreag)+Na→H+NaX(X≡F,Cl)The Journal of Chemical Physics, 1981
- A quantum mechanical study of the collinear Li+FH reactionThe Journal of Chemical Physics, 1981
- Analytical potentials for triatomic moleculesMolecular Physics, 1980
- Study of the reaction dynamics of Li+HF, HCl by the crossed molecular beams methodThe Journal of Chemical Physics, 1980
- Potential energy surface for the Li+HF→LiF+H reactionThe Journal of Chemical Physics, 1980
- Semiempirical potential surfaces for the alkali hydrogen-halide reactionsThe Journal of Chemical Physics, 1979