Polarizable interaction potential for molecular dynamics simulations of actinoids(III) in liquid water

Journal of Chemical Physics

Volumn 135, Issue 4, 2011, Pages

  Duvail, Magali ^a,c   Martelli, Fausto ^a   Vitorge, Pierre ^b   Spezia, Riccardo ^a  

^a UNIVERSITÉ D EVRY VAL D ESSONNE   (France)

^b DIF   (France)

^c SORBONNE UNIVERSITÉ   (France)

Author keywords

[No Author keywords available]

Indexed keywords

COORDINATION NUMBER; EXPERIMENTAL DATA; HYDRATION STRUCTURE; INTERACTION POTENTIALS; LIQUID WATER; MOLECULAR DYNAMICS SIMULATIONS;

HYDRATION; IONS; LIQUIDS;

MOLECULAR DYNAMICS;

ACTINIDE; WATER;

ARTICLE; CHEMISTRY; MOLECULAR DYNAMICS; QUANTUM THEORY; THERMODYNAMICS;

ACTINOID SERIES ELEMENTS; MOLECULAR DYNAMICS SIMULATION; QUANTUM THEORY; THERMODYNAMICS; WATER;

EID: 79961050014     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3613699     Document Type: Article

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