Solvation dynamics following electron photodetachment from l- in aqueous clusters

Autores
Elola, M.D.; Laria, D.
Año de publicación
2002
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
New insights into equilibrium and dynamical aspects of electron photodetachment reactions in small water clusters were given. It focuses on assessing the effects of thermal and polarization fluctuations provided by three cluster environments with different extents of spatial confinement, on the microscopic mechanisms that drive the reaction. These fluctuations, in turn, determine the characteristics of the electron localization and the subsequent detachment following photoexcitation of the probe.
Fil:Elola, M.D. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina.
Fil:Laria, D. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina.
Fuente
J Chem Phys 2002;117(5):2238-2245
Materia
Algorithms
Chemical relaxation
Diffusion
Electronic properties
Ground state
Mathematical models
Molecular structure
Photochemical reactions
Quantum theory
Solutions
Diffuse density profile
Electron photodetachment
Electronic excitation
Equilibrium solvation structures
Solvation dynamics
Surface states
Molecular dynamics
Nivel de accesibilidad
acceso abierto
Condiciones de uso
http://creativecommons.org/licenses/by/2.5/ar
Repositorio
Biblioteca Digital (UBA-FCEN)
Institución
Universidad Nacional de Buenos Aires. Facultad de Ciencias Exactas y Naturales
OAI Identificador
paperaa:paper_00219606_v117_n5_p2238_Elola
Acceder
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oai_identifier_str paperaa:paper_00219606_v117_n5_p2238_Elola
network_acronym_str BDUBAFCEN
repository_id_str 1896
network_name_str Biblioteca Digital (UBA-FCEN)
spelling Solvation dynamics following electron photodetachment from l- in aqueous clustersElola, M.D.Laria, D.AlgorithmsChemical relaxationDiffusionElectronic propertiesGround stateMathematical modelsMolecular structurePhotochemical reactionsQuantum theorySolutionsDiffuse density profileElectron photodetachmentElectronic excitationEquilibrium solvation structuresSolvation dynamicsSurface statesMolecular dynamicsNew insights into equilibrium and dynamical aspects of electron photodetachment reactions in small water clusters were given. It focuses on assessing the effects of thermal and polarization fluctuations provided by three cluster environments with different extents of spatial confinement, on the microscopic mechanisms that drive the reaction. These fluctuations, in turn, determine the characteristics of the electron localization and the subsequent detachment following photoexcitation of the probe.Fil:Elola, M.D. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina.Fil:Laria, D. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina.2002info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfhttp://hdl.handle.net/20.500.12110/paper_00219606_v117_n5_p2238_ElolaJ Chem Phys 2002;117(5):2238-2245reponame:Biblioteca Digital (UBA-FCEN)instname:Universidad Nacional de Buenos Aires. Facultad de Ciencias Exactas y Naturalesinstacron:UBA-FCENenginfo:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by/2.5/ar2025-09-04T09:48:24Zpaperaa:paper_00219606_v117_n5_p2238_ElolaInstitucionalhttps://digital.bl.fcen.uba.ar/Universidad públicaNo correspondehttps://digital.bl.fcen.uba.ar/cgi-bin/oaiserver.cgiana@bl.fcen.uba.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:18962025-09-04 09:48:25.924Biblioteca Digital (UBA-FCEN) - Universidad Nacional de Buenos Aires. Facultad de Ciencias Exactas y Naturalesfalse
dc.title.none.fl_str_mv Solvation dynamics following electron photodetachment from l- in aqueous clusters
title Solvation dynamics following electron photodetachment from l- in aqueous clusters
spellingShingle Solvation dynamics following electron photodetachment from l- in aqueous clusters
Elola, M.D.
Algorithms
Chemical relaxation
Diffusion
Electronic properties
Ground state
Mathematical models
Molecular structure
Photochemical reactions
Quantum theory
Solutions
Diffuse density profile
Electron photodetachment
Electronic excitation
Equilibrium solvation structures
Solvation dynamics
Surface states
Molecular dynamics
title_short Solvation dynamics following electron photodetachment from l- in aqueous clusters
title_full Solvation dynamics following electron photodetachment from l- in aqueous clusters
title_fullStr Solvation dynamics following electron photodetachment from l- in aqueous clusters
title_full_unstemmed Solvation dynamics following electron photodetachment from l- in aqueous clusters
title_sort Solvation dynamics following electron photodetachment from l- in aqueous clusters
dc.creator.none.fl_str_mv Elola, M.D.
Laria, D.
author Elola, M.D.
author_facet Elola, M.D.
Laria, D.
author_role author
author2 Laria, D.
author2_role author
dc.subject.none.fl_str_mv Algorithms
Chemical relaxation
Diffusion
Electronic properties
Ground state
Mathematical models
Molecular structure
Photochemical reactions
Quantum theory
Solutions
Diffuse density profile
Electron photodetachment
Electronic excitation
Equilibrium solvation structures
Solvation dynamics
Surface states
Molecular dynamics
topic Algorithms
Chemical relaxation
Diffusion
Electronic properties
Ground state
Mathematical models
Molecular structure
Photochemical reactions
Quantum theory
Solutions
Diffuse density profile
Electron photodetachment
Electronic excitation
Equilibrium solvation structures
Solvation dynamics
Surface states
Molecular dynamics
dc.description.none.fl_txt_mv New insights into equilibrium and dynamical aspects of electron photodetachment reactions in small water clusters were given. It focuses on assessing the effects of thermal and polarization fluctuations provided by three cluster environments with different extents of spatial confinement, on the microscopic mechanisms that drive the reaction. These fluctuations, in turn, determine the characteristics of the electron localization and the subsequent detachment following photoexcitation of the probe.
Fil:Elola, M.D. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina.
Fil:Laria, D. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina.
description New insights into equilibrium and dynamical aspects of electron photodetachment reactions in small water clusters were given. It focuses on assessing the effects of thermal and polarization fluctuations provided by three cluster environments with different extents of spatial confinement, on the microscopic mechanisms that drive the reaction. These fluctuations, in turn, determine the characteristics of the electron localization and the subsequent detachment following photoexcitation of the probe.
publishDate 2002
dc.date.none.fl_str_mv 2002
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
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://hdl.handle.net/20.500.12110/paper_00219606_v117_n5_p2238_Elola
url http://hdl.handle.net/20.500.12110/paper_00219606_v117_n5_p2238_Elola
dc.language.none.fl_str_mv eng
language eng
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by/2.5/ar
eu_rights_str_mv openAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by/2.5/ar
dc.format.none.fl_str_mv application/pdf
dc.source.none.fl_str_mv J Chem Phys 2002;117(5):2238-2245
reponame:Biblioteca Digital (UBA-FCEN)
instname:Universidad Nacional de Buenos Aires. Facultad de Ciencias Exactas y Naturales
instacron:UBA-FCEN
reponame_str Biblioteca Digital (UBA-FCEN)
collection Biblioteca Digital (UBA-FCEN)
instname_str Universidad Nacional de Buenos Aires. Facultad de Ciencias Exactas y Naturales
instacron_str UBA-FCEN
institution UBA-FCEN
repository.name.fl_str_mv Biblioteca Digital (UBA-FCEN) - Universidad Nacional de Buenos Aires. Facultad de Ciencias Exactas y Naturales
repository.mail.fl_str_mv ana@bl.fcen.uba.ar
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score 12.623145

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