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Journal of the American Chemical Society|October 14, 2008
Amine-functionalized task-specific ionic liquids: a mechanistic explanation for the dramatic increase in viscosity upon complexation with CO2 from molecular simulationKeith E Gutowski, Edward J MaginnAccounts of Chemical Research|October 24, 2007
Atomistic simulation of the thermodynamic and transport properties of ionic liquidsEdward J MaginnThe Journal of Physical Chemistry. B|August 3, 2012
A simple AIMD approach to derive atomic charges for condensed phase simulation of ionic liquidsYong Zhang, Edward J MaginnPhysical Chemistry Chemical Physics : PCCP|August 8, 2012
The effect of C2 substitution on melting point and liquid phase dynamics of imidazolium based-ionic liquids: insights from molecular dynamics simulationsYong Zhang, Edward J MaginnJournal of Computational Chemistry|May 15, 2008
Improvement in molecule exchange efficiency in Gibbs ensemble Monte Carlo: development and implementation of the continuous fractional component moveWei Shi, Edward J MaginnThe Journal of Physical Chemistry. B|August 6, 2010
A force field for 3,3,3-fluoro-1-propenes, including HFO-1234yfGabriele Raabe, Edward J MaginnFaraday Discussions|March 30, 2012
Critical behaviour and vapour-liquid coexistence of 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide ionic liquids via Monte Carlo simulationsNeeraj Rai, Edward J MaginnThe Journal of Physical Chemistry. B|April 16, 2009
Molecular simulation and regular solution theory modeling of pure and mixed gas absorption in the ionic liquid 1-n-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide ([hmim][Tf2N])Wei Shi, Edward J MaginnThe Journal of Physical Chemistry. B|September 8, 2006
Molecular simulation study of some thermophysical and transport properties of triazolium-based ionic liquidsCesar Cadena, Edward J MaginnJournal of Chemical Theory and Computation|November 21, 2015
Toward Fully in Silico Melting Point Prediction Using Molecular SimulationsYong Zhang, Edward J MaginnPageof 15