Solvatipn of excess electrons in supercritical ammonia

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Solvation of excess electrons in supercritical ammonia along the T = 450 K isotherm was investigated. Equilibrium aspects of solvation were analyzed using combined path integral-molecular dynamics techniques. Observations showed transition from localized to quasifree states at approximately one four...

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Autores principales: Rodriguez, J., Skaf, M.S., Laria, D.
Formato: Artículo publishedVersion
Lenguaje:Inglés
Publicado: 2003
Materias:
Electrons
Ground state
Molecular dynamics
Supercritical fluids
Solvation
Ammonia
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_00219606_v119_n12_p6044_Rodriguez
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
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spelling paperaa:paper_00219606_v119_n12_p6044_Rodriguez2023-06-12T16:43:10Z Solvatipn of excess electrons in supercritical ammonia J Chem Phys 2003;119(12):6044-6052 Rodriguez, J. Skaf, M.S. Laria, D. Electrons Ground state Molecular dynamics Supercritical fluids Solvation Ammonia Solvation of excess electrons in supercritical ammonia along the T = 450 K isotherm was investigated. Equilibrium aspects of solvation were analyzed using combined path integral-molecular dynamics techniques. Observations showed transition from localized to quasifree states at approximately one fourth of the triple point density. Fil:Rodriguez, J. 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. 2003 info:eu-repo/semantics/article info:ar-repo/semantics/artículo info:eu-repo/semantics/publishedVersion application/pdf eng info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_00219606_v119_n12_p6044_Rodriguez
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
language Inglés
orig_language_str_mv eng
topic Electrons
Ground state
Molecular dynamics
Supercritical fluids
Solvation
Ammonia
spellingShingle Electrons
Ground state
Molecular dynamics
Supercritical fluids
Solvation
Ammonia
Rodriguez, J.
Skaf, M.S.
Laria, D.
Solvatipn of excess electrons in supercritical ammonia
topic_facet Electrons
Ground state
Molecular dynamics
Supercritical fluids
Solvation
Ammonia
description Solvation of excess electrons in supercritical ammonia along the T = 450 K isotherm was investigated. Equilibrium aspects of solvation were analyzed using combined path integral-molecular dynamics techniques. Observations showed transition from localized to quasifree states at approximately one fourth of the triple point density.
format Artículo
Artículo
publishedVersion
author Rodriguez, J.
Skaf, M.S.
Laria, D.
author_facet Rodriguez, J.
Skaf, M.S.
Laria, D.
author_sort Rodriguez, J.
title Solvatipn of excess electrons in supercritical ammonia
title_short Solvatipn of excess electrons in supercritical ammonia
title_full Solvatipn of excess electrons in supercritical ammonia
title_fullStr Solvatipn of excess electrons in supercritical ammonia
title_full_unstemmed Solvatipn of excess electrons in supercritical ammonia
title_sort solvatipn of excess electrons in supercritical ammonia
publishDate 2003
url http://hdl.handle.net/20.500.12110/paper_00219606_v119_n12_p6044_Rodriguez
work_keys_str_mv AT rodriguezj solvatipnofexcesselectronsinsupercriticalammonia
AT skafms solvatipnofexcesselectronsinsupercriticalammonia
AT lariad solvatipnofexcesselectronsinsupercriticalammonia
_version_ 1769810083354509312

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