A computational investigation of thermodynamics, structure, dynamics and solvation behavior in modified water models

Journal of Chemical Physics

Volumn 128, Issue 12, 2008, Pages

  Chatterjee, Swaroop ^a   Debenedetti, Pablo G ^a   Stillinger, Frank H ^b   Lynden Bell, Ruth M ^c,d  

^a Princeton University   (United States)

^b PRINCETON UNIVERSITY   (United States)

^c UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^d QUEEN'S UNIVERSITY BELFAST   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; ELECTROSTATICS; MATHEMATICAL MODELS; SOLUBILITY; SOLVATION; THERMODYNAMICS;

GEOMETRIC MODIFICATION; POINT CHARGE MODEL; WATER MODELS;

MOLECULAR DYNAMICS;

WATER;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; SOLUBILITY; TEMPERATURE; THERMODYNAMICS;

COMPUTER SIMULATION; MODELS, CHEMICAL; MOLECULAR STRUCTURE; SOLUBILITY; TEMPERATURE; THERMODYNAMICS; WATER;

EID: 41549111057     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2841127     Document Type: Article

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