Abstract
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) |
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Pages (from-to) | 111-124 |
Number of pages | 14 |
Journal | Springer Series in Chemical Physics |
Volume | 61 |
DOIs | |
State | Published - 1996 |
Externally published | Yes |
ASJC Scopus subject areas
- Physical and Theoretical Chemistry