✦ LIBER ✦
The H + D2 reaction: Quasiclassical simulation of nascent HD ro-vibrational state distributions under experimentally probed high-energy conditions
✍ Scribed by Normand C. Blais; Donald G. Truhlar
- Publisher
- Elsevier Science
- Year
- 1989
- Tongue
- English
- Weight
- 570 KB
- Volume
- 162
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
We report quasiclassical-trajectory quadratic-smooth-sampling calculations of the product state distributions for H + D, + HD + D reaction with four values of the initial relative translational energy, 1.5, 1.6,2.25, and 2.4 eV, and with initial rotational quantum number sampled at 300 K. The results are used to simulate the experimental measurements at high collision energies of Rinuen, Kliner, Blake and Zare of the j' distribution in the u' = 0 and 1 levels, where v' andj' are fmal vibrational and rotational quantum numbers.