The general AMBER force field (GAFF) can accurately predict thermodynamic and transport properties of many ionic liquids

Journal of Physical Chemistry B

Volumn 119, Issue 18, 2015, Pages 5882-5895

  Sprenger, K G ^a   Jaeger, Vance W ^a   Pfaendtner, Jim ^a  

^a University of Washington   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMBER; CALCULATIONS; DENSITY OF LIQUIDS; LIQUIDS; MOLECULAR DYNAMICS; SPECIFIC HEAT; THERMODYNAMIC PROPERTIES; THERMODYNAMICS; TRANSPORT PROPERTIES;

AB INITIO CALCULATIONS; AMBER FORCE-FIELD; DYNAMIC PROPERTY; ROOM TEMPERATURE IONIC LIQUIDS; SCALING FACTORS; SELF-DIFFUSIVITY; THERMODYNAMIC AND TRANSPORT PROPERTIES; TUNING OF PARAMETERS;

IONIC LIQUIDS;

EID: 84928974599     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/acs.jpcb.5b00689     Document Type: Article

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