Atomistic description of binary lanthanoid salt solutions: A coarse-graining approach

Journal of Physical Chemistry B

Volumn 115, Issue 15, 2011, Pages 4329-4340

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

^a SORBONNE UNIVERSITÉ   (France)

^b CEA Marcoule   (France)

^c INSTITUT DE CHIMIE SÉPARATIVE DE MARCOULE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CHLORINE COMPOUNDS; DISTRIBUTION FUNCTIONS; IONS; MOLECULAR DYNAMICS; THERMODYNAMIC PROPERTIES;

AQUEOUS SOLUTIONS; ATOMIC MODELS; COARSE GRAINING; COARSE-GRAINED; EFFECTIVE PAIR POTENTIALS; EXPLICIT SOLVENTS; HYPER NETTED CHAINS; IMPLICIT SOLVENTS; INVERSION PROCEDURE; LANTHANOIDS; MACROSCOPIC PROPERTIES; MACROSCOPIC SCALE; MD SIMULATION; MOLECULAR DYNAMICS SIMULATIONS; MONTE CARLO SIMULATIONS; MULTI-SCALE APPROACHES; OSMOTIC COEFFICIENT; RADIAL DISTRIBUTION FUNCTIONS; SALT SOLUTION; SOLUTION CHEMISTRY; SOLUTION PROPERTY; STRUCTURAL CHARACTERISTICS; SUM RULE; THERMODYNAMIC AND STRUCTURAL PROPERTIES; TIME-SCALES;

IONIC LIQUIDS;

EID: 79954559593     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp1110168     Document Type: Article

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