Journal of Chemical Physics, Vol.105, No.7, 2710-2718, 1996
An Ab-Initio Study of the O(D-1)+hcl Reaction
The potential energy surface of the O(D-1)+HCl reaction has been calculated at an ab initio level. The calculated values have been fitted using a bend-order polynomial. On this potential energy surface quasiclassical trajectory calculations have been performed. These calculations reproduce most of the available experimental information better than the other existing potential energy surfaces.