Vapor− Liquid Phase Coexistence, Critical Properties, and Surface Tension of Confined Alkanes SK Singh, A Sinha, G Deo, JK Singh The Journal of Physical Chemistry C 113 (17), 7170-7180, 2009 | 367 | 2009 |
Appropriate methods to combine forward and reverse free-energy perturbation averages N Lu, JK Singh, DA Kofke The Journal of chemical physics 118, 2977, 2003 | 229 | 2003 |
Mayer sampling: Calculation of cluster integrals using free-energy perturbation methods JK Singh, DA Kofke Physical review letters 92 (22), 220601, 2004 | 211 | 2004 |
Recent advances in the carrier mobility of two-dimensional materials: a theoretical perspective SH Mir, VK Yadav, JK Singh ACS omega 5 (24), 14203-14211, 2020 | 170 | 2020 |
Removal of heavy metal ions using a functionalized single-walled carbon nanotube: a molecular dynamics study K Anitha, S Namsani, JK Singh The Journal of Physical Chemistry A 119 (30), 8349-8358, 2015 | 160 | 2015 |
Surface tension and vapor–liquid phase coexistence of the square-well fluid JK Singh, DA Kofke, JR Errington The Journal of chemical physics 119, 3405, 2003 | 151 | 2003 |
Molecular simulation of shale gas adsorption and diffusion in inorganic nanopores A Sharma, S Namsani, JK Singh Molecular Simulation 41 (5-6), 414-422, 2015 | 141 | 2015 |
Antituberculosis treatment-induced hepatotoxicity: role of predictive factors J Singh, A Arora, PK Garg, VS Thakur, JN Pande, RK Tandon Postgraduate medical journal 71 (836), 359-362, 1995 | 139 | 1995 |
Effect of pore morphology on vapor–liquid phase transition and crossover behavior of critical properties from 3D to 2D SK Singh, JK Singh Fluid Phase Equilibria 300 (1), 182-187, 2011 | 120 | 2011 |
Higher-order virial coefficients of water models KM Benjamin, JK Singh, AJ Schultz, DA Kofke The Journal of Physical Chemistry B 111 (39), 11463-11473, 2007 | 102 | 2007 |
Calculation of phase coexistence properties and surface tensions of n-alkanes with grand-canonical transition-matrix Monte Carlo simulation and finite-size scaling JK Singh, JR Errington The Journal of Physical Chemistry B 110 (3), 1369-1376, 2006 | 101 | 2006 |
Phase transitions in nanoconfined fluids: The evidence from simulation and theory PT Cummings, H Docherty, CR Iacovella, JK Singh AIChE Journal 56 (4), 842-848, 2010 | 96 | 2010 |
Effect of Different Surfactants on the Interfacial Behavior of the n-Hexane–Water System in the Presence of Silica Nanoparticles NR Biswal, N Rangera, JK Singh The Journal of Physical Chemistry B 120 (29), 7265-7274, 2016 | 90 | 2016 |
Fabrication of durable superhydrophobic coatings on cotton fabrics with photocatalytic activity by fluorine-free chemical modification for dual-functional water purification AK Singh, JK Singh New Journal of Chemistry 41 (11), 4618-4628, 2017 | 86 | 2017 |
Vapor-liquid phase coexistence curves for Morse fluids JK Singh, J Adhikari, SK Kwak Fluid phase equilibria 248 (1), 1-6, 2006 | 86 | 2006 |
Wetting transition of water on graphite and boron-nitride surfaces: A molecular dynamics study RC Dutta, S Khan, JK Singh Fluid Phase Equilibria 302 (1-2), 310-315, 2011 | 82 | 2011 |
Surface tension and vapor-liquid phase coexistence of confined square-well fluid JK Singh, SK Kwak The Journal of chemical physics 126, 024702, 2007 | 80 | 2007 |
Wetting transition of nanodroplets of water on textured surfaces: a molecular dynamics study S Khan, JK Singh Molecular Simulation 40 (6), 458-468, 2014 | 77 | 2014 |
Molecular modeling for the design of novel performance chemicals and materials B Rai CRC Press, 2012 | 74 | 2012 |
Fabrication of zirconia based durable superhydrophobic–superoleophilic fabrics using non fluorinated materials for oil–water separation and water purification AK Singh, JK Singh RSC advances 6 (105), 103632-103640, 2016 | 70 | 2016 |