Abstract:
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.
Registro:
Documento: |
Artículo
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Título: | Solvation dynamics following electron photodetachment from l- in aqueous clusters |
Autor: | Elola, M.D.; Laria, D. |
Filiación: | Departamento de Quimica Inorganica, Analitica y Quimica-Fisica e INQUIMAE, Facultad de Ciencias Exactas y Naturales, Pabellón II, 1428, Buenos Aires, Argentina Unidad Actividad Química, Comisión Nacional de Energía Atómica, Avenida Libertador 8250, 1429, Buenos Aires, Argentina
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Palabras clave: | 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 |
Año: | 2002
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Volumen: | 117
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Número: | 5
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Página de inicio: | 2238
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Página de fin: | 2245
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DOI: |
http://dx.doi.org/10.1063/1.1489896 |
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_v117_n5_p2238_Elola.pdf |
Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00219606_v117_n5_p2238_Elola |
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Citas:
---------- APA ----------
Elola, M.D. & Laria, D.
(2002)
. Solvation dynamics following electron photodetachment from l- in aqueous clusters. Journal of Chemical Physics, 117(5), 2238-2245.
http://dx.doi.org/10.1063/1.1489896---------- CHICAGO ----------
Elola, M.D., Laria, D.
"Solvation dynamics following electron photodetachment from l- in aqueous clusters"
. Journal of Chemical Physics 117, no. 5
(2002) : 2238-2245.
http://dx.doi.org/10.1063/1.1489896---------- MLA ----------
Elola, M.D., Laria, D.
"Solvation dynamics following electron photodetachment from l- in aqueous clusters"
. Journal of Chemical Physics, vol. 117, no. 5, 2002, pp. 2238-2245.
http://dx.doi.org/10.1063/1.1489896---------- VANCOUVER ----------
Elola, M.D., Laria, D. Solvation dynamics following electron photodetachment from l- in aqueous clusters. J Chem Phys. 2002;117(5):2238-2245.
http://dx.doi.org/10.1063/1.1489896