The solvatochromism of phenolate betaines: comparing different cavities of a polarized continuum model

Two variations of the polarized continuum model employing default ("PCM model") and SMD radii ("SMD model") were compared for the reproduction of the solvatochromic behavior of Reichardt's betaine dye, and of eight other phenolate betaines that exhibit a

Detalhes bibliográficos
Autores: Caroli-Rezende, Marcos, Dominguez, Moises
Tipo de documento: artigo
Estado:Versão publicada
Data de publicação:2014
País:Chile
Idioma:inglês
OAI Identifier:oai:repositorio.anid.cl:10533/228857
Acesso em linha:https://hdl.handle.net/10533/228857
Access Level:Acceso aberto
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spelling Dominguez, MoisesCaroli-Rezende, Marcos201510.1007/s00894-015-2769-zhttps://hdl.handle.net/10533/228857http://purl.org/coar/access_right/c_abf2The solvatochromism of phenolate betaines: comparing different cavities of a polarized continuum modelCaroli-Rezende, MarcosDominguez, Moises2018-11-29T15:37:29Z2022-07-07T21:29:23Z20142018-11-29T15:37:29Z2022-07-07T21:29:23Z2015Two variations of the polarized continuum model employing default ("PCM model") and SMD radii ("SMD model") were compared for the reproduction of the solvatochromic behavior of Reichardt's betaine dye, and of eight other phenolate betaines that exhibit aRegularFONDECYTFONDECYT11402121140212virtual::42504-1WOS:000359539700001https://hdl.handle.net/10533/228857enghandle/10533/11155610.1007/s00894-015-2769-zhandle/10533/111541handle/10533/108045https://link.springer.com/content/pdf/10.1007%2Fs00894-015-2769-z.pdfAtribución-NoComercial-SinDerivadas 3.0 Chilehttp://creativecommons.org/licenses/by-nc-nd/3.0/cl/info:eu-repo/semantics/openAccessThe solvatochromism of phenolate betaines: comparing different cavities of a polarized continuum modelJournal of Molecular ModellingArticuloinfo:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttps://hdl.handle.net/10533/228857FONDECYThttp://purl.org/coar/resource_type/c_2df8fbb1bea6b18e-4c60-4f73-9d80-a578c8ec88a2virtual::42504-1bea6b18e-4c60-4f73-9d80-a578c8ec88a2virtual::42504-110533/228857oai:repositorio.anid.cl:10533/2288572023-07-24 17:07:25.079https://repositorio.anid.clRepositorio ANIDaletelier@anid.cl
dc.title.none.fl_str_mv The solvatochromism of phenolate betaines: comparing different cavities of a polarized continuum model
dc.title.journal.none.fl_str_mv Journal of Molecular Modelling
title The solvatochromism of phenolate betaines: comparing different cavities of a polarized continuum model
spellingShingle The solvatochromism of phenolate betaines: comparing different cavities of a polarized continuum model
Caroli-Rezende, Marcos
title_short The solvatochromism of phenolate betaines: comparing different cavities of a polarized continuum model
title_full The solvatochromism of phenolate betaines: comparing different cavities of a polarized continuum model
title_fullStr The solvatochromism of phenolate betaines: comparing different cavities of a polarized continuum model
title_full_unstemmed The solvatochromism of phenolate betaines: comparing different cavities of a polarized continuum model
title_sort The solvatochromism of phenolate betaines: comparing different cavities of a polarized continuum model
dc.creator.none.fl_str_mv Caroli-Rezende, Marcos
Dominguez, Moises
author Caroli-Rezende, Marcos
author_facet Caroli-Rezende, Marcos
Dominguez, Moises
author_role author
author2 Dominguez, Moises
author2_role author
description Two variations of the polarized continuum model employing default ("PCM model") and SMD radii ("SMD model") were compared for the reproduction of the solvatochromic behavior of Reichardt's betaine dye, and of eight other phenolate betaines that exhibit a
publishDate 2014
dc.date.annoconcurso.none.fl_str_mv 2014
dc.date.issued.none.fl_str_mv 2015
dc.date.accessioned.none.fl_str_mv 2018-11-29T15:37:29Z
2022-07-07T21:29:23Z
dc.date.available.none.fl_str_mv 2018-11-29T15:37:29Z
2022-07-07T21:29:23Z
dc.type.none.fl_str_mv Articulo
dc.type.driver.none.fl_str_mv info:eu-repo/semantics/article
dc.type.openaire.none.fl_str_mv info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.folio.none.fl_str_mv 1140212
1140212
dc.identifier.idwos.none.fl_str_mv WOS:000359539700001
dc.identifier.uri.none.fl_str_mv https://hdl.handle.net/10533/228857
identifier_str_mv 1140212
WOS:000359539700001
url https://hdl.handle.net/10533/228857
dc.language.iso.none.fl_str_mv eng
language eng
dc.relation.contest.none.fl_str_mv handle/10533/111556
dc.relation.doi.none.fl_str_mv 10.1007/s00894-015-2769-z
dc.relation.instrument.none.fl_str_mv handle/10533/111541
dc.relation.program.none.fl_str_mv handle/10533/108045
dc.relation.uri.none.fl_str_mv https://link.springer.com/content/pdf/10.1007%2Fs00894-015-2769-z.pdf
dc.rights.none.fl_str_mv Atribución-NoComercial-SinDerivadas 3.0 Chile
http://creativecommons.org/licenses/by-nc-nd/3.0/cl/
dc.rights.driver.none.fl_str_mv info:eu-repo/semantics/openAccess
rights_invalid_str_mv Atribución-NoComercial-SinDerivadas 3.0 Chile
http://creativecommons.org/licenses/by-nc-nd/3.0/cl/
eu_rights_str_mv openAccess
repository.name.fl_str_mv Repositorio ANID
repository.mail.fl_str_mv aletelier@anid.cl
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