Abstract
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.
Original language | English (US) |
---|---|
Pages (from-to) | 122-126 |
Number of pages | 5 |
Journal | Chemical Physics Letters |
Volume | 324 |
Issue number | 1-3 |
DOIs | |
State | Published - Jun 30 2000 |
ASJC Scopus subject areas
- General Physics and Astronomy
- Physical and Theoretical Chemistry