Coarse-grained lanthanoid chloride aqueous solutions

Journal of Molecular Liquids

Volumn 153, Issue 2-3, 2010, Pages 107-111

  Molina, John Jairo ^a,b,c   Duvail, Magali ^d   Guilbaud, Philippe ^d   Dufrêche, Jean François ^a  

^a INSTITUT DE CHIMIE SÉPARATIVE DE MARCOULE   (France)

^b SORBONNE UNIVERSITÉ   (France)

^c CNRS   (France)

^d DIF   (France)

Author keywords

Effective potentials; Lanthanoids; Molecular dynamics; Monte Carlo

Indexed keywords

AQUEOUS SOLUTIONS; BINARY SALTS; COARSE-GRAINED; DIELECTRIC MEDIUM; EFFECTIVE POTENTIALS; EXPERIMENTAL DATA; IMPLICIT SOLVENT MODEL; INVERSION PROCEDURE; ION-ION INTERACTION POTENTIAL; LANTHANOID CHLORIDE; LANTHANOIDS; MONTE CARLO; PAIR POTENTIAL; RADIAL DISTRIBUTION FUNCTIONS; SOLVENT MOLECULAR;

CHLORINE COMPOUNDS; IONS; MOLECULAR DYNAMICS; MONTE CARLO METHODS; SOLUTIONS;

DISTRIBUTION FUNCTIONS;

EID: 77950593700     PISSN: 01677322     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molliq.2010.01.007     Document Type: Article

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