Quantum dynamics studies for the H+DCN→HD+CN reaction were performed using the semirigid vibrating rotor (SVRT) model and time-dependent wave packet propagation technique. Initial state-selected total reaction probabilities as well as integral cross sections and thermal rate constants were computed. Overall, significant results were obtained.
|Original language||English (US)|
|Number of pages||5|
|Journal||Journal of Chemical Physics|
|State||Published - Sep 22 2002|
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry