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O -O2 state-to-state vibrational relaxation and dissociation rates based on quasiclassical calculations

Academic Article
Publication Date:
2008
abstract:
A complete set of V-T (vibration-translation) relaxation rates and of dissociation coefficients for the system O-O2 have been obtained by using quasiclassical trajectories on the Varandas and Pais potential energy surface. The results, averaged on a Boltzmann rotational distribution, cover the whole range of the vibrational ladder and are reproduced in closed form ready to be implemented in state-to-state kinetic models. The accuracy of the results has been tested by comparing them with available experimental and theoretical values
Iris type:
01.01 Articolo in rivista
Keywords:
Vibrational energy exchange; Rate coefficients; Dissociation; Atom-molecule collisions; Oxygen
List of contributors:
Capitelli, Mario; Capitta, Giulia; Armenise, Iole; Esposito, Fabrizio
Authors of the University:
ARMENISE IOLE
ESPOSITO FABRIZIO
Handle:
https://iris.cnr.it/handle/20.500.14243/33654
Published in:
CHEMICAL PHYSICS
Journal
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