1. Dipartimento di Chimica, Università di Perugia, Via Elce di Sotto 8, 06123, Perugia, Italy 2. Dipartimento di Matematica e Informatica, Università di Perugia, Via Vanvitelli 1, 06123, Perugia, Italy
Abstract:
The detailed quantum probabilities of the O + O2 reactive system have been computed at zero total angular momentum using the time-independent quantum program ABC thanks to the restructuring of the code and its implementation on the EGEE production Grid. Their main features are discussed and out of them J-shifting thermal rate coefficients have been computed to compare with the experiment and quasiclassical trajectory results over a wide range of temperatures.