An ab initio study of the O(1D)+HCl reaction.

The potential energy surface of the O([SUP1]D)+HCl reaction has been calculated at an ab initio level. The calculated values have been fitted using a bond-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. [ABSTRACT FROM AUTHOR]