Edward Maginn
www.mendeley.com
0000-0002-6309-1347
University of Notre Dame
204 papers found
Refreshing results…
Atomistic simulation of solid-liquid coexistence for molecular systems: Application to triazole and benzene
Ionic liquids as absorption media for Co2 capture
Assessing the factors responsible for ionic liquid toxicity to aquatic organisms via quantitative structure–property relationship modeling
Monte Carlo Simulations of Gas Solubility in the Ionic Liquid 1- n -Butyl-3-methylimidazolium Hexafluorophosphate
Phase Equilibria with Gases and Liquids of 1- n -Butyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide
Synthesis, Structural Characterization, and Molecular Modeling of Dodecaniobate Keggin Chain Materials
Isomolar semigrand ensemble molecular dynamics: Development and application to liquid-liquid equilibria
Liquid phase behavior of imidazolium-based ionic liquids with alcohols: effect of hydrogen bonding and non-polar interactions
Gas solubilities in tunable ionic liquids
Tailoring gas solubilities in ionic liquids
Molecular modeling of crystalline silicotitanate and polyoxoniobate ion exchangers
Rapid shear viscosity calculation by momentum impulse relaxation molecular dynamics
Computing solid-fluid coexistence for molecular systems using a pseudo-supercritical path sampling method
Molecular dynamics study of pyridinium- And triazolium-based ionic liquids
Superheated homogeneous and heterogeneous bubble nucleation rates using Npt and NpzzT molecular dynamics: Effects of surface interactions
Tuning ionic liquids for CO2 gas absorption
Adsorption of water in polyoxoniobate materials. a molecular simulation investigation
Modeling CO2 solubility in ionic liquids using semi-grand ensemble hybrid Monte Carlo
Rapid shear viscosity calculation by Momentum impulse relaxation Molecular Dynamics (Mir-MD)
Toward a robust and general molecular simulation method for computing solid-liquid coexistence
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