Six-site polarizable model of water based on the classical Drude oscillator

Journal of Chemical Physics

Volumn 138, Issue 3, 2013, Pages

  Yu, Wenbo ^a   Lopes, Pedro E M ^a   Roux, Benoît ^b   MacKerell, Alexander D ^a  

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

^b UNIVERSITY OF CHICAGO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL SHIFT; DIFFUSION IN LIQUIDS; DIMERS; HYDROGEN; HYDROGEN BONDS; SIMULATED ANNEALING;

AMBIENT CONDITIONS; BULK PHASE; DRUDE OSCILLATORS; HYDROGEN BONDING STRUCTURES; LIQUID PHASE; LIQUID PHASIS; LONE PAIR; POLARIZABLE MODEL; POLARIZABLE WATER MODELS; WATER BASED;

OXYGEN;

OXYGEN; WATER;

ARTICLE; CHEMISTRY; HYDROGEN BOND; MOLECULAR DYNAMICS;

HYDROGEN BONDING; MOLECULAR DYNAMICS SIMULATION; OXYGEN; WATER;

MLCS; MLOWN;

EID: 84872796699     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4774577     Document Type: Article

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