The microscopic physical cause for the density maximum of liquid water

Journal of Physical Chemistry Letters

Volumn 5, Issue 1, 2014, Pages 138-142

  Tröster, Philipp ^a   Tavan, Paul ^a  

^a UNIVERSITY OF MUNICH   (Germany)

Author keywords

density functional theory; force fields; hybrid methods; molecular dynamics simulation; polarizable molecular mechanics; replica exchange; water models

Indexed keywords

FORCE FIELDS; HYBRID METHOD; MOLECULAR DYNAMICS SIMULATIONS; POLARIZABLE MOLECULAR MECHANICS; REPLICA EXCHANGE; WATER MODELS;

COMPUTER SIMULATION; DENSITY FUNCTIONAL THEORY; HYDROGEN BONDS; MOLECULAR DYNAMICS; MOLECULES;

LIQUIDS;

EID: 84891816462     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz4023927     Document Type: Article

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