The statistical adiabatic channel model has been used to calculate rate coefficients for the reaction between H atoms and FO radicals on potential energy surfaces based on density functional theory and ab initio calculations between 200 and 1000 K. The rate coefficient calculated at 300 K with the ab initio potential is in good agreement with a recently reported experimental value.
Información general
Fecha de publicación:2000
Idioma del documento:Inglés
Revista:Reaction Kinetics and Catalysis Letters; vol. 69, no. 2
Institución de origen:Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas
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