Accurate quantum-mechanical calculation for O(1D)+DCl reaction

An accurate time-dependent wavepacket calculation for the O(D-1) + 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(D-1) + HCl reaction. These differences are attributed mainly to the kinematic effect. (C) 2000 Elsevier Science B.V. All rights reserved.