| Continuous fractional component Monte Carlo: an adaptive biasing method for open system atomistic simulations W Shi, EJ Maginn Journal of chemical theory and computation 3 (4), 1451-1463, 2007 | 247 | 2007 |
| Gas adsorption on heterogeneous single-walled carbon nanotube bundles W Shi, J Johnson PHYSICAL REVIEW LETTERS 91, 2003 | 223 | 2003 |
| Atomistic Simulation of the Absorption of Carbon Dioxide and Water in the Ionic Liquid 1-n-Hexyl-3-methylimidazolium Bis (trifluoromethylsulfonyl) imide ([hmim][Tf2N] W Shi, EJ Maginn The Journal of Physical Chemistry B 112 (7), 2045-2055, 2008 | 203 | 2008 |
| Absorption of CO2 in the Ionic Liquid 1-n-Hexyl-3-methylimidazolium Tris(pentafluoroethyl)trifluorophosphate ([hmim][FEP]): A Molecular View by Computer … X Zhang, F Huo, Z Liu, W Wang, W Shi, EJ Maginn The Journal of Physical Chemistry B 113 (21), 7591-7598, 2009 | 149 | 2009 |
| Improvement in Molecule Exchange Efficiency in Gibbs Ensemble Monte Carlo: Development and Implementation of the Continuous Fractional Component Move W Shi, E Maginn JOURNAL OF COMPUTATIONAL CHEMISTRY 29, 2520-2530, 2008 | 142 | 2008 |
| Chemical activation of single-walled carbon nanotubes for hydrogen adsorption M Smith, E Bittner JOURNAL OF PHYSICAL CHEMISTRY B 107, 3752-3760, 2003 | 129 | 2003 |
| Determining the accuracy of classical force fields for ionic liquids: atomistic simulation of the thermodynamic and transport properties of 1-ethyl-3-methylimidazolium … MS Kelkar, W Shi, EJ Maginn Industrial & engineering chemistry research 47 (23), 9115-9126, 2008 | 127 | 2008 |
| 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 … W Shi, E Maginn JOURNAL OF PHYSICAL CHEMISTRY B 112, 16710-16720, 2008 | 111 | 2008 |
| Histogram reweighting and finite-size scaling study of the Lennard-Jones fluids W Shi, J Johnson FLUID PHASE EQUILIBRIA 187, 171-191, 2001 | 101 | 2001 |
| Molecular Simulation of Ammonia Absorption in the Ionic Liquid 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([emim][Tf2N] W Shi, E Maginn AICHE JOURNAL 55, 2414-2421, 2009 | 99 | 2009 |
| Theoretical and experimental studies of water interaction in acetate based ionic liquids W Shi, D Luebke Phys. Chem. Chem. Phys. 14, 15897-15908, 2012 | 87 | 2012 |
| Theoretical and Experimental Studies of CO2 and H2 Separation Using the 1-Ethyl-3-methylimidazolium Acetate ([emim][CH3COO]) Ionic Liquid W Shi, D Luebke J. Phys. Chem. B 116, 283-295, 2011 | 86 | 2011 |
| Molecular Simulations of CO2 and H-2 Sorption into Ionic Liquid 1-n-Hexyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)amide ([hmim][Tf2N]) Confined in Carbon Nanotubes W Shi, DC Sorescu J. Phys. Chem. B 114, 15029-15041, 2010 | 83 | 2010 |
| Molecular Simulations and Experimental Studies of Solubility and Diffusivity for Pure and Mixed Gases of H2, CO2, and Ar Absorbed in the Ionic Liquid 1-n-Hexyl-3 … W Shi, DC Sorescu, DR Luebke, MJ Keller, S Wickramanayake The Journal of Physical Chemistry B 114 (19), 6531-6541, 2010 | 73 | 2010 |
| Enhanced Gas Absorption in the Ionic Liquid 1-n-Hexyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)amide ([hmim][Tf2N]) Confined in Silica Slit Pores: A Molecular Simulation … W Shi, D Luebke Langmuir 29, 5563-5572, 2013 | 68 | 2013 |
| Probing the structure-property relationship of regioisomeric ionic liquids with click chemistry H Nulwala, C Tang Green Chem. 13, 3345-3349, 2011 | 63 | 2011 |
| Adsorption of gases in carbon nanotubes: Are defect interstitial sites important? M LaBrosse, W Shi Langmuir 24, 9430-9439, 2008 | 58 | 2008 |
| Contribution of the Acetate Anion to CO2 Solubility in Ionic Liquids: Theoretical Method Development and Experimental Study W Shi, R Thompson J. Phys. Chem. B 118, 7383-7394, 2014 | 55 | 2014 |
| Levelized cost of CO2 captured using five physical solvents in pre-combustion applications HE Ashkanani, R Wang, W Shi, NS Siefert, RL Thompson, K Smith, ... International Journal of Greenhouse Gas Control 101, 103135, 2020 | 52 | 2020 |
| Igniting nanotubes with a flash B Bockrath, J Johnson SCIENCE 297, 192-192, 2002 | 51 | 2002 |
Edward MaginnChemical Engineering, University of Notre DameAdresse e-mail validée de nd.edu