An online parameter and property database for the TraPPE force field

Molecular Simulation

Volumn 40, Issue 1-3, 2014, Pages 101-105

  Eggimann, Becky L ^a   Sunnarborg, Amara J ^a   Stern, Hudson D ^a   Bliss, Andrew P ^a   Siepmann, J Ilja ^b,c  

^a WHEATON COLLEGE   (United States)

^b University of Minnesota   (United States)

^c UNIVERSITY OF MINNESOTA   (United States)

Author keywords

force field development; molecular mechanics; phase equilibrium; TraPPE

Indexed keywords

CODE MODIFICATIONS; COMPUTATIONALLY EFFICIENT; FORCE FIELD DEVELOPMENT; ON-LINE PARAMETER; SIMULATION PROGRAM; SIMULATION SOFTWARE; TRANSFERABLE POTENTIALS; TRAPPE;

COMPUTER SIMULATION; COMPUTER SOFTWARE; MOLECULAR MECHANICS; THERMODYNAMIC PROPERTIES;

PHASE EQUILIBRIA;

EID: 84896761030     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927022.2013.842994     Document Type: Article

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