Trajectory calculations for the reaction K + HBr → KBr + H in the eV-region

Published: 1 January 1972| Version 1 | DOI: 10.17632/zpdy75c84g.1
A. van der Meulen


Title of program: CLASSICAL TRAJECTORIES 324 Catalogue Id: AAGI_v1_0 Nature of problem A series of three-dimensional classical kinematic computer trajectory calculations have been made on the exothermic exchange reaction K+HBR - KBr+H, deltaH=-0.206eV. The total reaction cross section for the formation of KBR, as well as the angular distribution of non-reactive scattered K was obtained as a function of initial relative kinetic energy, which was varied between 0.03 and 30eV. Versions of this program held in the CPC repository in Mendeley Data AAGI_v1_0; CLASSICAL TRAJECTORIES 324; 10.1016/0010-4655(72)90053-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)



Physical Chemistry, Molecular Physics, Computational Physics