The General AMBER Force Field (GAFF) Can Accurately Predict Thermodynamic and Transport Properties of Many Ionic Liquids

2015 ◽  
Vol 119 (18) ◽  
pp. 5882-5895 ◽  
Author(s):  
K. G. Sprenger ◽  
Vance W. Jaeger ◽  
Jim Pfaendtner
Keyword(s):  
Ionic Liquids ◽  
Force Field ◽  
Transport Properties ◽  
Amber Force Field ◽  
Thermodynamic And Transport Properties

A new force field model for the simulation of transport properties of imidazolium-based ionic liquids

2011 ◽  
Vol 13 (17) ◽  
pp. 7910 ◽  
Author(s):  
Vitaly V. Chaban ◽  
Iuliia V. Voroshylova ◽  
Oleg N. Kalugin
Keyword(s):  
Ionic Liquids ◽  
Force Field ◽  
Transport Properties ◽  
Field Model

Influence of the Treatment of Nonbonded Interactions on the Thermodynamic and Transport Properties of Pure Liquids Calculated Using the 2016H66 Force Field

2019 ◽  
Vol 15 (3) ◽  
pp. 1806-1826 ◽  
Author(s):  
Yan M. H. Gonçalves ◽  
Caroline Senac ◽  
Patrick F. J. Fuchs ◽  
Philippe H. Hünenberger ◽  
Bruno A. C. Horta
Keyword(s):  
Force Field ◽  
Transport Properties ◽  
Nonbonded Interactions ◽  
Thermodynamic And Transport Properties
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