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Wei Shi  (石偉)
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Year
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
2342007
Gas adsorption on heterogeneous single-walled carbon nanotube bundles
W Shi, J Johnson
PHYSICAL REVIEW LETTERS 91, 2003
2242003
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
2012008
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
1482009
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
1352008
Chemical activation of single-walled carbon nanotubes for hydrogen adsorption
M Smith, E Bittner
JOURNAL OF PHYSICAL CHEMISTRY B 107, 3752-3760, 2003
1262003
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
1232008
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
1082008
Histogram reweighting and finite-size scaling study of the Lennard-Jones fluids
W Shi, J Johnson
FLUID PHASE EQUILIBRIA 187, 171-191, 2001
972001
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
952009
Theoretical and experimental studies of water interaction in acetate based ionic liquids
W Shi, D Luebke
Phys. Chem. Chem. Phys. 14, 15897-15908, 2012
852012
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
842011
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
822010
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
732010
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
672013
Probing the structure-property relationship of regioisomeric ionic liquids with click chemistry
H Nulwala, C Tang
Green Chem. 13, 3345-3349, 2011
612011
Adsorption of gases in carbon nanotubes: Are defect interstitial sites important?
M LaBrosse, W Shi
Langmuir 24, 9430-9439, 2008
582008
Phase transitions of adsorbed fluids computed from multiple-histogram reweighting
W Shi, X Zhao
MOLECULAR PHYSICS 100, 2139-2150, 2002
492002
Igniting nanotubes with a flash
B Bockrath, J Johnson
SCIENCE 297, 192-192, 2002
492002
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
482014
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