A simple polarizable model of water based on classical drude oscillators

Journal of Chemical Physics

Volumn 119, Issue 10, 2003, Pages 5185-5197

  Lamoureux, Guillaume ^a   MacKerell Jr , Alexander D ^b   Roux, Benoît ^c  

^a UNIVERSITÉ DE MONTRÉAL   (Canada)

^b UNIVERSITY OF MARYLAND SCHOOL OF PHARMACY   (United States)

^c WEILL CORNELL MEDICAL COLLEGE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; BINDING ENERGY; COMPUTER SIMULATION; ELECTROMAGNETIC WAVE POLARIZATION; HYDROGEN; HYDROGEN BONDS; MOLECULAR STRUCTURE; MONTE CARLO METHODS; PERMITTIVITY; SURFACE PROPERTIES; WATER;

DRUDE POLARIZABILITY; LENNARD-JONES POTENTIAL; MOLECULAR GEOMETRY; PAULI EXCLUSION PRINCIPLE; SELF DIFFUSION CONSTANT;

MOLECULAR DYNAMICS;

EID: 0141704114     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1598191     Document Type: Article

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