Quasiclassical Trajectory Study of Atom-Exchange and Vibrational Relaxation Processes in Collisions of Atomic and Molecular Nitrogen
The Journal of Physical Chemistry A2010Vol. 114(19), pp. 6063–6070
Citations Over TimeTop 13% of 2010 papers
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.
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