Abstract:
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.
Registro:
Documento: |
Artículo
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Título: | Solvatipn of excess electrons in supercritical ammonia |
Autor: | Rodriguez, J.; Skaf, M.S.; Laria, D. |
Filiación: | Unidad Actividad Química, Comn. Nac. de Ener. Atómica, Avenida Libertador 8250, 1429 Buenos Aires, Argentina Esc. de Ciencia y Tecnología, Univ. Nac. de Gen. San Martín, Calle 91 3391, 1652 San Martin, Pcia. Buenos Aires, Argentina Instituto de Química, Universidade Estadual de Campinas, Cx. P. 6154, Campinas, SP 13083-970, Brazil Depto. de Quím. Inorg., INQUIMAE, Pabellón II, 1428 Buenos Aires, Argentina
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Palabras clave: | Electrons; Ground state; Molecular dynamics; Supercritical fluids; Solvation; Ammonia |
Año: | 2003
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Volumen: | 119
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Número: | 12
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Página de inicio: | 6044
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Página de fin: | 6052
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DOI: |
http://dx.doi.org/10.1063/1.1601215 |
Título revista: | Journal of Chemical Physics
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Título revista abreviado: | J Chem Phys
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ISSN: | 00219606
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CODEN: | JCPSA
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PDF: | https://bibliotecadigital.exactas.uba.ar/download/paper/paper_00219606_v119_n12_p6044_Rodriguez.pdf |
Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00219606_v119_n12_p6044_Rodriguez |
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Citas:
---------- APA ----------
Rodriguez, J., Skaf, M.S. & Laria, D.
(2003)
. Solvatipn of excess electrons in supercritical ammonia. Journal of Chemical Physics, 119(12), 6044-6052.
http://dx.doi.org/10.1063/1.1601215---------- CHICAGO ----------
Rodriguez, J., Skaf, M.S., Laria, D.
"Solvatipn of excess electrons in supercritical ammonia"
. Journal of Chemical Physics 119, no. 12
(2003) : 6044-6052.
http://dx.doi.org/10.1063/1.1601215---------- MLA ----------
Rodriguez, J., Skaf, M.S., Laria, D.
"Solvatipn of excess electrons in supercritical ammonia"
. Journal of Chemical Physics, vol. 119, no. 12, 2003, pp. 6044-6052.
http://dx.doi.org/10.1063/1.1601215---------- VANCOUVER ----------
Rodriguez, J., Skaf, M.S., Laria, D. Solvatipn of excess electrons in supercritical ammonia. J Chem Phys. 2003;119(12):6044-6052.
http://dx.doi.org/10.1063/1.1601215