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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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
id I19-R120-10915-139499
record_format dspace
institution Universidad Nacional de La Plata
institution_str I-19
repository_str R-120
collection SEDICI (UNLP)
language Inglés
topic Física
Química
Ciencias Exactas
Limiting high pressure rate coefficient
potential energy surface
HONO2
spellingShingle Física
Química
Ciencias Exactas
Limiting high pressure rate coefficient
potential energy surface
HONO2
Cobos, Carlos Jorge
Limiting high pressure rate coefficients for the HO+NO2&→HONO2 reaction on ab initio potential energy surfaces
topic_facet Física
Química
Ciencias Exactas
Limiting high pressure rate coefficient
potential energy surface
HONO2
description 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.
format Articulo
Articulo
author Cobos, Carlos Jorge
author_facet Cobos, Carlos Jorge
author_sort Cobos, Carlos Jorge
title Limiting high pressure rate coefficients for the HO+NO2&→HONO2 reaction on ab initio potential energy surfaces
title_short Limiting high pressure rate coefficients for the HO+NO2&→HONO2 reaction on ab initio potential energy surfaces
title_full Limiting high pressure rate coefficients for the HO+NO2&→HONO2 reaction on ab initio potential energy surfaces
title_fullStr Limiting high pressure rate coefficients for the HO+NO2&→HONO2 reaction on ab initio potential energy surfaces
title_full_unstemmed Limiting high pressure rate coefficients for the HO+NO2&→HONO2 reaction on ab initio potential energy surfaces
title_sort limiting high pressure rate coefficients for the ho+no2&→hono2 reaction on ab initio potential energy surfaces
publishDate 2003
url http://sedici.unlp.edu.ar/handle/10915/139499
work_keys_str_mv AT coboscarlosjorge limitinghighpressureratecoefficientsforthehono2hono2reactiononabinitiopotentialenergysurfaces
bdutipo_str Repositorios
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