QUANTUM AND QUASI-CLASSICAL CALCULATIONS ON THE OH+CO-]CO2+H REACTION
Scattering calculations on the OH+CO→CO2+H reaction are reported using both quantum and quasiclassical methods. The rotating bond approximation is used in the quantum calculations. This method explicitly treats the OH vibration and CO rotation in the reactants and the bending vibration and a local C...
| Autores principales: | , |
|---|---|
| Formato: | Journal article |
| Publicado: |
1993
|