An improvement of the Li+HF PES based on a 3D quasiclassical trajectory test
- 15 March 1986
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 84 (6), 3059-3067
- https://doi.org/10.1063/1.450287
Abstract
A quasiclassical trajectory test of some potential energy surfaces designed for the Li+HF reaction is reported. A comparison of scattering quantities with experimental data has allowed the selection of a surface sufficiently accurate for reproducing reactive cross sections and detailed experimental data.Keywords
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