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

Autores
Cobos, Carlos Jorge
Año de publicación
2003
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
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.
Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas
Materia
Física
Química
Ciencias Exactas
Limiting high pressure rate coefficient
potential energy surface
HONO2
Nivel de accesibilidad
acceso abierto
Condiciones de uso
http://creativecommons.org/licenses/by/4.0/
Repositorio
SEDICI (UNLP)
Institución
Universidad Nacional de La Plata
OAI Identificador
oai:sedici.unlp.edu.ar:10915/139499
Acceder
id SEDICI_f021a0610200e7e6c31e03474649ea16
oai_identifier_str oai:sedici.unlp.edu.ar:10915/139499
network_acronym_str SEDICI
repository_id_str 1329
network_name_str SEDICI (UNLP)
spelling Limiting high pressure rate coefficients for the HO+NO2&→HONO2 reaction on ab initio potential energy surfacesCobos, Carlos JorgeFísicaQuímicaCiencias ExactasLimiting high pressure rate coefficientpotential energy surfaceHONO2Phase 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.Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas2003info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdf263-269http://sedici.unlp.edu.ar/handle/10915/139499enginfo:eu-repo/semantics/altIdentifier/issn/0133-1736info:eu-repo/semantics/altIdentifier/issn/1588-2837info:eu-repo/semantics/altIdentifier/doi/10.1023/a:1024582001439info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by/4.0/Creative Commons Attribution 4.0 International (CC BY 4.0)reponame:SEDICI (UNLP)instname:Universidad Nacional de La Platainstacron:UNLP2025-09-29T11:32:01Zoai:sedici.unlp.edu.ar:10915/139499Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292025-09-29 11:32:02.291SEDICI (UNLP) - Universidad Nacional de La Platafalse
dc.title.none.fl_str_mv Limiting high pressure rate coefficients for the HO+NO2&→HONO2 reaction on ab initio potential energy surfaces
title Limiting high pressure rate coefficients for the HO+NO2&→HONO2 reaction on ab initio potential energy surfaces
spellingShingle Limiting high pressure rate coefficients for the HO+NO2&→HONO2 reaction on ab initio potential energy surfaces
Cobos, Carlos Jorge
Física
Química
Ciencias Exactas
Limiting high pressure rate coefficient
potential energy surface
HONO2
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
dc.creator.none.fl_str_mv Cobos, Carlos Jorge
author Cobos, Carlos Jorge
author_facet Cobos, Carlos Jorge
author_role author
dc.subject.none.fl_str_mv Física
Química
Ciencias Exactas
Limiting high pressure rate coefficient
potential energy surface
HONO2
topic Física
Química
Ciencias Exactas
Limiting high pressure rate coefficient
potential energy surface
HONO2
dc.description.none.fl_txt_mv 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.
Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas
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.
publishDate 2003
dc.date.none.fl_str_mv 2003
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Articulo
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://sedici.unlp.edu.ar/handle/10915/139499
url http://sedici.unlp.edu.ar/handle/10915/139499
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/issn/0133-1736
info:eu-repo/semantics/altIdentifier/issn/1588-2837
info:eu-repo/semantics/altIdentifier/doi/10.1023/a:1024582001439
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by/4.0/
Creative Commons Attribution 4.0 International (CC BY 4.0)
eu_rights_str_mv openAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by/4.0/
Creative Commons Attribution 4.0 International (CC BY 4.0)
dc.format.none.fl_str_mv application/pdf
263-269
dc.source.none.fl_str_mv reponame:SEDICI (UNLP)
instname:Universidad Nacional de La Plata
instacron:UNLP
reponame_str SEDICI (UNLP)
collection SEDICI (UNLP)
instname_str Universidad Nacional de La Plata
instacron_str UNLP
institution UNLP
repository.name.fl_str_mv SEDICI (UNLP) - Universidad Nacional de La Plata
repository.mail.fl_str_mv alira@sedici.unlp.edu.ar
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score 13.070432

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