An accurate time-dependent wavepacket calculation for the O(1D)+DCl reaction is carried out employing the BLRS potential energy surface (R. Schinke, J. Chem. Phys. 80 (1984) 5510). Apparent differences are found in the energy-dependence of reaction probability and the magnitude of rate constants between the title reaction and its isotopic O(1D)+HCl reaction. These differences are attributed mainly to the kinematic effect.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry