In this contribution, we present a preliminary account of our recent work on the Cl + H2 and Cl + D2 reactions, which includes a new potential energy surface, variational transition state theory and semiclassical tunneling calculations for both reactions and for other isotopomeric cases, and accurate quantum dynamical calculations of rate constants and state-to-state integral and differential cross sections.
|Original language||English (US)|
|Number of pages||14|
|Journal||Springer Series in Chemical Physics|
|State||Published - Dec 1 1996|
ASJC Scopus subject areas
- Physical and Theoretical Chemistry