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
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
http://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_00219606_v119_n12_p6044_Rodriguez_oai
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Repositorio Digital de la Universidad de Buenos Aires (UBA) de Universidad de Buenos Aires
id I28-R145-paper_00219606_v119_n12_p6044_Rodriguez_oai
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spelling I28-R145-paper_00219606_v119_n12_p6044_Rodriguez_oai2020-10-19 Rodriguez, J. Skaf, M.S. Laria, D. 2003 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. application/pdf http://hdl.handle.net/20.500.12110/paper_00219606_v119_n12_p6044_Rodriguez info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar J Chem Phys 2003;119(12):6044-6052 Electrons Ground state Molecular dynamics Supercritical fluids Solvation Ammonia Solvatipn of excess electrons in supercritical ammonia info:eu-repo/semantics/article info:ar-repo/semantics/artículo info:eu-repo/semantics/publishedVersion http://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_00219606_v119_n12_p6044_Rodriguez_oai
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-145
collection Repositorio Digital de la Universidad de Buenos Aires (UBA)
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
http://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_00219606_v119_n12_p6044_Rodriguez_oai
work_keys_str_mv AT rodriguezj solvatipnofexcesselectronsinsupercriticalammonia
AT skafms solvatipnofexcesselectronsinsupercriticalammonia
AT lariad solvatipnofexcesselectronsinsupercriticalammonia
_version_ 1766026565688229888

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