Repositorio de producción científica de la Universidad de Sevilla

Coupling a polarizable water model to the hydrated ion–water interaction potential: A test on the Cr3+ hydration

 

Advanced Search
 
Opened Access Coupling a polarizable water model to the hydrated ion–water interaction potential: A test on the Cr3+ hydration
Cites

Show item statistics
Icon
Export to
Author: Martínez Fernández, José Manuel
Hernández Cobos, Jorge
Saint-Martin, Humberto
Pappalardo, Rafael R.
Ortega Blake, Iván
Sánchez Marcos, Enrique
Department: Universidad de Sevilla. Departamento de Química Física
Date: 2000
Published in: The Journal of chemical physics, 112 (5), 2339-2347.
Document type: Article
Abstract: A strategy to build interaction potentials for describing ionic hydration of highly charged monoatomic cations by computer simulations, including the polarizable character of the solvent, is proposed. The method is based on the hydrated ion concept ...
[See more]
Cite: Martínez Fernández, J.M., Hernández Cobos, J., Saint-Martin, H., Pappalardo, R.R., Ortega Blake, I. y Sánchez Marcos, E. (2000). Coupling a polarizable water model to the hydrated ion–water interaction potential: A test on the Cr3+ hydration. The Journal of chemical physics, 112 (5), 2339-2347.
Size: 150.3Kb
Format: PDF

URI: http://hdl.handle.net/11441/48326

DOI: 10.1063/1.480799

See editor´s version

This work is under a Creative Commons License: 
Attribution-NonCommercial-NoDerivatives 4.0 Internacional

This item appears in the following Collection(s)