Limiting high pressure rate coefficients for the HO+NO2&→HONO2 reaction on ab initio potential energy surfaces

dc.creatorCobos, Carlos Jorge
dc.date2003
dc.date2022-07-13T19:09:34Z
dc.date.accessioned2023-07-15T04:49:22Z
dc.date.available2023-07-15T04:49:22Z
dc.identifierhttp://sedici.unlp.edu.ar/handle/10915/139499
dc.identifierissn:0133-1736
dc.identifierissn:1588-2837
dc.identifier.urihttps://repositorioslatinoamericanos.uchile.cl/handle/2250/7471015
dc.descriptionPhase space limiting high pressure rate coefficients for the title reaction on ab initio potential energy surfaces have been calculated at 50-600 K. Calculated rigidity factors at different levels of theory are presented. The best limiting high pressure rate coefficient obtained at 300 K, 4.0x10-11cm3 molecule-1 s-1, compares very well with the latest IUPAC recommended value.
dc.descriptionInstituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas
dc.formatapplication/pdf
dc.format263-269
dc.languageen
dc.rightshttp://creativecommons.org/licenses/by/4.0/
dc.rightsCreative Commons Attribution 4.0 International (CC BY 4.0)
dc.subjectFísica
dc.subjectQuímica
dc.subjectCiencias Exactas
dc.subjectLimiting high pressure rate coefficient
dc.subjectpotential energy surface
dc.subjectHONO2
dc.titleLimiting high pressure rate coefficients for the HO+NO2&→HONO2 reaction on ab initio potential energy surfaces
dc.typeArticulo
dc.typeArticulo


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