Quasiclassical molecular dynamic calculations of vibrationally and rotationally state selected dissociation cross-sections: N+N-2(v,j)-> 3N

Citation
F. Esposito et M. Capitelli, Quasiclassical molecular dynamic calculations of vibrationally and rotationally state selected dissociation cross-sections: N+N-2(v,j)-> 3N, CHEM P LETT, 302(1-2), 1999, pp. 49-54
Citations number
20
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS LETTERS
ISSN journal
00092614 → ACNP
Volume
302
Issue
1-2
Year of publication
1999
Pages
49 - 54
Database
ISI
SICI code
0009-2614(19990312)302:1-2<49:QMDCOV>2.0.ZU;2-3
Abstract
Complete sets of dissociation cross-sections for the process N + N-2(upsilo n,j) --> 3N have been calculated by using a quasiclassical trajectory metho d over a potential energy surface developed by Lagana et al. (J. Phys. Chem . 91 (1987) 312). The results have been then used to calculate the global d issociation rate of the process for thermal conditions. The results show an Arrhenius behaviour and are in good agreement with experimental values. (C ) 1999 Elsevier Science B.V. All rights reserved.