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

Phase 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, 4.0x10-11c...

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Guardado en:
Detalles Bibliográficos
Autor principal: Cobos, Carlos Jorge
Formato: Articulo
Lenguaje:Inglés
Publicado: 2003
Materias:
Física
Química
Ciencias Exactas
Limiting high pressure rate coefficient
potential energy surface
HONO2
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/139499
Aporte de:
SEDICI (UNLP) de Universidad Nacional de La Plata
Descripción
Sumario:Phase 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.

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