Statistical Adiabatic Channel Model Calculations of the Reaction of H Atoms and FO Radicals on Ab Initio Potential Energy Surfaces

dc.creatorCobos, Carlos Jorge
dc.date2000
dc.date2022-06-24T14:23:40Z
dc.date.accessioned2023-07-15T05:09:39Z
dc.date.available2023-07-15T05:09:39Z
dc.identifierhttp://sedici.unlp.edu.ar/handle/10915/138299
dc.identifierissn:0133-1736
dc.identifierissn:1588-2837
dc.identifier.urihttps://repositorioslatinoamericanos.uchile.cl/handle/2250/7472312
dc.descriptionThe 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.
dc.descriptionInstituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas
dc.formatapplication/pdf
dc.format379-384
dc.languageen
dc.rightshttp://creativecommons.org/licenses/by-nc-sa/4.0/
dc.rightsCreative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)
dc.subjectFísica
dc.subjectRate coefficient
dc.subjectstatistical adiabatic channel model
dc.subjectpotential energy surface
dc.subjectFO radical
dc.titleStatistical Adiabatic Channel Model Calculations of the Reaction of H Atoms and FO Radicals on Ab Initio Potential Energy Surfaces
dc.typeArticulo
dc.typeArticulo


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