Abstract
Time-dependent quantum dynamics studies were performed for the H+HCN reaction using semirigid vibrating rotor target (SVRT) and the pseudo atom-diatom (PAD) models. Total reaction probabilities were calculated from the initial ground state of the reagent. The dynamical result from the SVRT calculation was compared with that from a PAD calculation. The results from the two calculations were found to be close to each other with some differences at high collision energies.
Original language | English (US) |
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Pages (from-to) | 172-176 |
Number of pages | 5 |
Journal | Journal of Chemical Physics |
Volume | 117 |
Issue number | 1 |
DOIs | |
State | Published - Jul 1 2002 |
ASJC Scopus subject areas
- General Physics and Astronomy
- Physical and Theoretical Chemistry