Time dependent wave packet study of the electronically non-adiabatic Cl+H2 reaction using a one-dimensional model

Detalhes bibliográficos
Autor(a) principal: Prudente, Frederico Vasconcellos
Data de Publicação: 2003
Outros Autores: Riganelli, Antonio, Marques, Jorge M. C.
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da UFBA
Texto Completo: http://www.repositorio.ufba.br/ri/handle/ri/4874
Resumo: p.2354–2359
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spelling Prudente, Frederico VasconcellosRiganelli, AntonioMarques, Jorge M. C.Prudente, Frederico VasconcellosRiganelli, AntonioMarques, Jorge M. C.2011-12-16T12:41:02Z2011-12-16T12:41:02Z20031463-9076http://www.repositorio.ufba.br/ri/handle/ri/4874v. 5.p.2354–2359We report a time dependent wave packet calculation of the electronically non-adiabatic Cl+H2 reaction using a one-dimensional diabatic potential model. The funnel resonances are characterized for a large range of the energy, and the results compared with recent time independent calculations using the same model.Submitted by Ana Valéria de Jesus Moura (anavaleria_131@hotmail.com) on 2011-12-16T12:41:02Z No. of bitstreams: 1 b301010d.pdf: 182624 bytes, checksum: 0ddb306ac128ca36cd0c1ba926e870bd (MD5)Made available in DSpace on 2011-12-16T12:41:02Z (GMT). No. of bitstreams: 1 b301010d.pdf: 182624 bytes, checksum: 0ddb306ac128ca36cd0c1ba926e870bd (MD5) Previous issue date: 2003Time dependent wave packet study of the electronically non-adiabatic Cl+H2 reaction using a one-dimensional modelPhysical Chemistry Chemical Physicsinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleengreponame:Repositório Institucional da UFBAinstname:Universidade Federal da Bahia (UFBA)instacron:UFBAinfo:eu-repo/semantics/openAccessORIGINALb301010d.pdfb301010d.pdfapplication/pdf182624https://repositorio.ufba.br/bitstream/ri/4874/1/b301010d.pdf0ddb306ac128ca36cd0c1ba926e870bdMD51LICENSElicense.txtlicense.txttext/plain1809https://repositorio.ufba.br/bitstream/ri/4874/2/license.txt8bb3e3eb871f5854a9ec419f68651b60MD52TEXTb301010d.pdf.txtb301010d.pdf.txtExtracted texttext/plain25273https://repositorio.ufba.br/bitstream/ri/4874/3/b301010d.pdf.txtc3ac4e5a7fbe1053fb53563471fe148dMD53ri/48742022-07-05 14:03:45.489oai:repositorio.ufba.br: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ório InstitucionalPUBhttp://192.188.11.11:8080/oai/requestopendoar:19322022-07-05T17:03:45Repositório Institucional da UFBA - Universidade Federal da Bahia (UFBA)false
dc.title.pt_BR.fl_str_mv Time dependent wave packet study of the electronically non-adiabatic Cl+H2 reaction using a one-dimensional model
dc.title.alternative.pt_BR.fl_str_mv Physical Chemistry Chemical Physics
title Time dependent wave packet study of the electronically non-adiabatic Cl+H2 reaction using a one-dimensional model
spellingShingle Time dependent wave packet study of the electronically non-adiabatic Cl+H2 reaction using a one-dimensional model
Prudente, Frederico Vasconcellos
title_short Time dependent wave packet study of the electronically non-adiabatic Cl+H2 reaction using a one-dimensional model
title_full Time dependent wave packet study of the electronically non-adiabatic Cl+H2 reaction using a one-dimensional model
title_fullStr Time dependent wave packet study of the electronically non-adiabatic Cl+H2 reaction using a one-dimensional model
title_full_unstemmed Time dependent wave packet study of the electronically non-adiabatic Cl+H2 reaction using a one-dimensional model
title_sort Time dependent wave packet study of the electronically non-adiabatic Cl+H2 reaction using a one-dimensional model
author Prudente, Frederico Vasconcellos
author_facet Prudente, Frederico Vasconcellos
Riganelli, Antonio
Marques, Jorge M. C.
author_role author
author2 Riganelli, Antonio
Marques, Jorge M. C.
author2_role author
author
dc.contributor.author.fl_str_mv Prudente, Frederico Vasconcellos
Riganelli, Antonio
Marques, Jorge M. C.
Prudente, Frederico Vasconcellos
Riganelli, Antonio
Marques, Jorge M. C.
description p.2354–2359
publishDate 2003
dc.date.issued.fl_str_mv 2003
dc.date.accessioned.fl_str_mv 2011-12-16T12:41:02Z
dc.date.available.fl_str_mv 2011-12-16T12:41:02Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://www.repositorio.ufba.br/ri/handle/ri/4874
dc.identifier.issn.none.fl_str_mv 1463-9076
dc.identifier.number.pt_BR.fl_str_mv v. 5.
identifier_str_mv 1463-9076
v. 5.
url http://www.repositorio.ufba.br/ri/handle/ri/4874
dc.language.iso.fl_str_mv eng
language eng
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
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dc.source.none.fl_str_mv reponame:Repositório Institucional da UFBA
instname:Universidade Federal da Bahia (UFBA)
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instname_str Universidade Federal da Bahia (UFBA)
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institution UFBA
reponame_str Repositório Institucional da UFBA
collection Repositório Institucional da UFBA
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