title: Quasiclassical trajectory study of atom-exchange and vibrational relaxation processes in collisions of atomic and molecular nitrogen.
abstract: Quasiclassical trajectories have been integrated to study the exchange reaction of molecular nitrogen in collisions with atomic nitrogen for temperatures over the range of 1273 < or = T (K) < or = 10,000. A recently proposed potential energy surface for the ground A'' quartet state of the system has been employed. If compared to previous theoretical studies, the results of the present work show a higher reactivity due to a lower barrier, with a study of the effect of this height in the thermal rate constant being also performed. Vibrational energy transfer via chemical reaction and/or inelastic collisions are also studied.
authors.affiliation: Departamento de Química, Universidade de Coimbra, 3004-535 Coimbra, Portugal.
authors.forename: P J S B
authors.initials: PJ
authors.lastname: Caridade
authors.forename: B R L
authors.initials: BR
authors.lastname: Galvão
authors.forename: A J C
authors.initials: AJ
authors.lastname: Varandas