Literature DB >> 20411986

Quasiclassical trajectory study of atom-exchange and vibrational relaxation processes in collisions of atomic and molecular nitrogen.

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


  1 in total

1.  Nonequilibrium internal energy distributions during dissociation.

Authors:  Narendra Singh; Thomas Schwartzentruber
Journal:  Proc Natl Acad Sci U S A       Date:  2017-12-18       Impact factor: 11.205

  1 in total

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