A quantum-classical study of the OH + H2 reactive and inelastic collisions

We carried out a study of OH + H-2 scattering using a quantum-classical method, treating quantally vibrations and classically both translations and rotations. The good agreement between the state specific quantum-classical reactive probabilities and the corresponding quantum ones prompted the extension of the study to state to state probabilities for non reactive vibrational energy exchange. The study showed that H-2 reactive dynamics depends on the vibrational excitation, while the non reactive one is mainly vibrationally adiabatic. On the contrary, OH reactive dynamics is not affected by its vibrational excitation, whereas the non reactive one might produce some pumping up to higher vibrational states.