title: A comparison of the quantum state-specific efficiency of N + N2 reaction computed on different potential energy surfaces.
abstract: State-to-state exact quantum probabilities of the N + N2 exchange reaction have been calculated on the recently proposed L4 potential energy surface fitted to high level ab initio points using full-dimensional time-independent quantum techniques. Thermal rate coefficient values calculated on L4 were found not to differ from those calculated on a previously proposed potential energy surface. On the contrary, state-specific reaction probabilities calculated on the two surfaces are shown to differ significantly. Arguments for attributing the difference to specific features of the considered potential energy surfaces are provided.
authors.affiliation: Dipartimento di Chimica, Università di Perugia, 06123 Perugia, Italy.
authors.forename: Sergio
authors.initials: S
authors.lastname: Rampino
authors.forename: Dimitris
authors.initials: D
authors.lastname: Skouteris
authors.forename: Antonio
authors.initials: A
authors.lastname: Laganà
authors.forename: Ernesto
authors.initials: E
authors.lastname: Garcia
authors.forename: Amaia
authors.initials: A
authors.lastname: Saracibar