Jindal Shah
Title
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Cited by
Year
Why is CO2 so soluble in imidazolium-based ionic liquids?
C Cadena, JL Anthony, JK Shah, TI Morrow, JF Brennecke, EJ Maginn
Journal of the American Chemical Society 126 (16), 5300-5308, 2004
14822004
Molecular Design of High Capacity, Low Viscosity, Chemically Tunable Ionic Liquids for CO2 Capture
B Gurkan, BF Goodrich, EM Mindrup, LE Ficke, M Massel, S Seo, ...
The Journal of Physical Chemistry Letters 1 (24), 3494-3499, 2010
3572010
Thermodynamic properties of the ionic liquid 1-n-butyl-3-methylimidazolium hexafluorophosphate from Monte Carlo simulations
JK Shah, JF Brennecke, EJ Maginn
Green Chemistry 4 (2), 112-118, 2002
2932002
Monte Carlo simulations of gas solubility in the ionic liquid 1-n-butyl-3-methylimidazolium hexafluorophosphate
JK Shah, EJ Maginn
The Journal of Physical Chemistry B 109 (20), 10395-10405, 2005
1822005
1H NMR and Molecular Dynamics Evidence for an Unexpected Interaction on the Origin of Salting-In/Salting-Out Phenomena
MG Freire, CMSS Neves, AMS Silva, LM Santos, IM Marrucho, ...
The Journal of Physical Chemistry B 114 (5), 2004-2014, 2010
1162010
A Monte Carlo simulation study of the ionic liquid 1-n-butyl-3-methylimidazolium hexafluorophosphate: liquid structure, volumetric properties and infinite dilution solution …
JK Shah, EJ Maginn
Fluid Phase Equilibria 222, 195-203, 2004
1142004
Amphiphilic interactions of ionic liquids with lipid biomembranes: a molecular simulation study
B Yoo, JK Shah, Y Zhu, EJ Maginn
Soft Matter 10 (43), 8641-8651, 2014
922014
A general and efficient Monte Carlo method for sampling intramolecular degrees of freedom of branched and cyclic molecules
JK Shah, EJ Maginn
The Journal of chemical physics 135 (13), 134121, 2011
862011
State of hydrophobic and hydrophilic ionic liquids in aqueous solutions: are the ions fully dissociated?
P Yee, JK Shah, EJ Maginn
The Journal of Physical Chemistry B 117 (41), 12556-12566, 2013
812013
Cassandra: An open source Monte Carlo package for molecular simulation
JK Shah, E Marin‐Rimoldi, RG Mullen, BP Keene, S Khan, AS Paluch, ...
Journal of computational chemistry 38 (19), 1727-1739, 2017
802017
Molecular mechanisms of ionic liquid cytotoxicity probed by an integrated experimental and computational approach
B Yoo, B Jing, SE Jones, GA Lamberti, Y Zhu, JK Shah, EJ Maginn
Scientific reports 6 (1), 1-7, 2016
772016
Erratum:“A method for computing the solubility limit of solids: Application to sodium chloride in water and alcohols”[J. Chem. Phys. 133, 124504 (2010)]
AS Paluch, S Jayaraman, JK Shah, EJ Maginn
The Journal of Chemical Physics 137 (3), 039901-039901-1, 2012
66*2012
A method for computing the solubility limit of solids: Application to sodium chloride in water and alcohols
AS Paluch, S Jayaraman, JK Shah, EJ Maginn
The Journal of chemical physics 133 (12), 124504, 2010
642010
Structure and Dynamics of Neat and CO2-Reacted Ionic Liquid Tetrabutylphosphonium 2-Cyanopyrrolide
H Wu, JK Shah, CM Tenney, TW Rosch, EJ Maginn
Industrial & engineering chemistry research 50 (15), 8983-8993, 2011
532011
Balancing local order and long-ranged interactions in the molecular theory of liquid water
JK Shah, D Asthagiri, LR Pratt, ME Paulaitis
The Journal of chemical physics 127 (14), 144508, 2007
522007
Combined application of high-field diffusion NMR and molecular dynamics simulations to study dynamics in a mixture of carbon dioxide and an imidazolium-based ionic liquid
ED Hazelbaker, S Budhathoki, A Katihar, JK Shah, EJ Maginn, ...
The Journal of Physical Chemistry B 116 (30), 9141-9151, 2012
482012
Efficient solvation free energy calculations of amino acid analogs by expanded ensemble molecular simulation
AS Paluch, JK Shah, EJ Maginn
Journal of chemical theory and computation 7 (5), 1394-1403, 2011
342011
Molecular Simulation Study of the Solubility, Diffusivity and Permselectivity of Pure and Binary Mixtures of CO2 and CH4 in the Ionic Liquid 1-n-Butyl-3 …
S Budhathoki, JK Shah, EJ Maginn
Industrial & Engineering Chemistry Research 54 (35), 8821-8828, 2015
312015
Monte Carlo simulations of water solubility in ionic liquids: a force field assessment
E Marin-Rimoldi, JK Shah, EJ Maginn
Fluid Phase Equilibria 407, 117-125, 2016
262016
Molecular dynamics investigation of biomimetic ionic liquids
JK Shah, EJ Maginn
Fluid phase equilibria 294 (1-2), 197-205, 2010
262010
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Articles 1–20