The solvation of Na+ in water: First-principles simulations

Journal of Chemical Physics

Volumn 113, Issue 11, 2000, Pages 4668-4673

  White, Jody A ^a   Schwegler, Eric ^a   Galli, Giulia ^a   Gygi, François ^a  

^a LAWRENCE LIVERMORE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALKALI METALS; CATALYSIS; ELECTRONIC STRUCTURE; FOURIER TRANSFORMS; HYDRATION; HYDROGEN BONDS; IONS; MOLECULAR DYNAMICS; NEUTRON DIFFRACTION; WATER; X RAY DIFFRACTION ANALYSIS;

FIRST-PRINCIPLES MOLECULAR DYNAMIC (FPMD) SIMULATIONS; SOLVATION SHELLS;

SODIUM;

EID: 0034269312     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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