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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
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
Palabras clave:Electrons; Ground state; Molecular dynamics; Supercritical fluids; Solvation; Ammonia
Año:2003
Volumen:119
Número:12
Página de inicio:6044
Página de fin:6052
DOI: http://dx.doi.org/10.1063/1.1601215
Título revista:Journal of Chemical Physics
Título revista abreviado:J Chem Phys
ISSN:00219606
CODEN:JCPSA
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