Pair interaction potentials with explicit polarization for molecular dynamics simulations of La3+ in bulk water

Journal of Chemical Physics

Volumn 127, Issue 3, 2007, Pages

  Duvail, Magali ^a   Souaille, Marc ^a   Spezia, Riccardo ^a   Cartailler, Thierry ^a   Vitorge, Pierre ^a,b  

^a UNIVERSITÉ D EVRY VAL D ESSONNE   (France)

^b CEA SACLAY   (France)

Author keywords

[No Author keywords available]

Indexed keywords

DATA ACQUISITION; HYDRATION; LANTHANUM; MOLECULAR DYNAMICS; POLARIZATION; WATER;

EXPLICIT POLARIZATION; PAIR INTERACTION POTENTIALS (IPS); WATER EXCHANGES;

IONIC CONDUCTION;

EID: 34547230130     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2751503     Document Type: Article

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