A Theoretical Study of the Reaction HO+H₂（D₂）→H₂O（HOD）+H（D）

We have carried out thermodynamic and kinetic calculations basing on the results of ab initio quantum chemistry for the reaction HO+H₂（D₂）→H₂O（HOD）+H（D）. The factors affecting the exactitude of the calculations have been found out. A set of exact thermodynamic functions and kinetic parameters is presented. The calculated results are in good agreement with available experimental data over a broad temperature range. The rate constants predicted by transition state theory exhibit non-Arrhenius behavior in a wide temperature range, but can be described by Arrhenius expressions at low temperature. The theoritial effective activation energy is just the same as the best experimental value.