Ab initio three-body interactions for water. II. Effects on structure and energetics of liquid

Journal of Chemical Physics

Volumn 118, Issue 10, 2003, Pages 4404-4413

  Mas, Eric M ^a,b   Bukowski, Robert ^a   Szalewicz, Krzysztof ^a  

^a UNIVERSITY OF DELAWARE   (United States)

^b LOS ALAMOS NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; COMPUTER SIMULATION; ELECTRON ENERGY LEVELS; GRAPH THEORY; HYDROGEN BONDS; ITERATIVE METHODS; MATHEMATICAL MODELS; MOLECULAR ORIENTATION; MOLECULAR STRUCTURE; MONTE CARLO METHODS; PERTURBATION TECHNIQUES; WATER;

NONADDITIVITY EFFECT; RADIAL DISTRIBUTION FUNCTION; THREE-BODY INTERACTION;

MOLECULAR DYNAMICS;

EID: 0037426224     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1542872     Document Type: Article

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