| Autor: |
Eaker, Charles W., Muzyka, Jennifer L. |
| Zdroj: |
Chemical Physics Letters; August 1985, Vol. 119 Issue: 2-3 p169-172, 4p |
| Abstrakt: |
We have applied the quasiclassical trajectory method to investigate the effect of vibration and translational energy on the reaction dynamics of H+2+ D2and D+2+ H2. Two vibrational states (ν+= 0 and 3) of the charged diatom and five translational energies (ET= 0.23, 1.1, 2.1, 4.1, and 6.1 eV) are examined in this study. Using diatomics-in-molecules potential energy surfaces, the reaction is assumed to be diabatic (no charge hopping) until the reactants are within 8.0 bohr and then adiabatic. This simple theoretical description of the reaction gives good agreement with the experimental results. |
| Databáze: |
Supplemental Index |
| Externí odkaz: |
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