| Literature DB >> 20411986 |
P J S B Caridade1, B R L Galvão, A J C Varandas.
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.Entities:
Year: 2010 PMID: 20411986 DOI: 10.1021/jp101681m
Source DB: PubMed Journal: J Phys Chem A ISSN: 1089-5639 Impact factor: 2.781