| 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 | 1762 | 2004 |
| 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 | 462 | 2010 |
| 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 | 315 | 2002 |
| 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 | 207 | 2005 |
| 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 | 147 | 2017 |
| 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 | 133 | 2014 |
| 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 | 132 | 2010 |
| 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 | 118 | 2004 |
| 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), 19889, 2016 | 115 | 2016 |
| 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 | 108 | 2013 |
| 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), 2011 | 98 | 2011 |
| 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 | 82* | 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), 2010 | 79 | 2010 |
| 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 | 62 | 2011 |
| 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), 2007 | 56 | 2007 |
| 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 | 55 | 2012 |
| 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 | 40 | 2015 |
| Molecular simulation study of the performance of supported ionic liquid phase materials for the separation of carbon dioxide from methane and hydrogen S Budhathoki, JK Shah, EJ Maginn Industrial & Engineering Chemistry Research 56 (23), 6775-6784, 2017 | 39 | 2017 |
| Mesoscale organization and dynamics in binary ionic liquid mixtures T Cosby, U Kapoor, JK Shah, J Sangoro The journal of physical chemistry letters 10 (20), 6274-6280, 2019 | 38 | 2019 |
| 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 | 36 | 2011 |
Andrew S. PaluchDepartment of Chemical, Paper, and Biomedical Engineering, Miami UniversityVerified email at miamioh.edu
