| Separation of CO2 from CH4 Using Mixed-Ligand Metal−Organic Frameworks YS Bae, KL Mulfort, H Frost, P Ryan, S Punnathanam, LJ Broadbelt, ... Langmuir 24 (16), 8592-8598, 2008 | 678 | 2008 |
| Methane and carbon dioxide adsorption on edge-functionalized graphene: a comparative DFT study BC Wood, SY Bhide, D Dutta, VS Kandagal, AD Pathak, ... The Journal of chemical physics 137 (5), 2012 | 133 | 2012 |
| Crystal nucleation in binary hard sphere mixtures: A Monte Carlo simulation study S Punnathanam, PA Monson The Journal of chemical physics 125 (2), 2006 | 110 | 2006 |
| Homogeneous bubble nucleation in stretched fluids: Cavity formation in the superheated Lennard-Jones liquid S Punnathanam, DS Corti Industrial & engineering chemistry research 41 (5), 1113-1121, 2002 | 57 | 2002 |
| Molecular Cage Nestling in the Liquid-Phase Adsorption of n-Alkanes in 5A Zeolite I Daems, GV Baron, S Punnathanam, RQ Snurr, JFM Denayer The Journal of Physical Chemistry C 111 (5), 2191-2197, 2007 | 47 | 2007 |
| Effect of functional groups on separating carbon dioxide from CO2/N2 gas mixtures using edge functionalized graphene nanoribbons T Dasgupta, SN Punnathanam, KG Ayappa Chemical Engineering Science 121, 279-291, 2015 | 42 | 2015 |
| Adsorption on edge-functionalized bilayer graphene nanoribbons: assessing the role of functional groups in methane uptake VS Kandagal, A Pathak, KG Ayappa, SN Punnathanam The Journal of Physical Chemistry C 116 (44), 23394-23403, 2012 | 36 | 2012 |
| Cavity formation in the superheated Lennard-Jones liquid and its connection to homogeneous bubble nucleation: A density-functional theory study S Punnathanam, DS Corti The Journal of chemical physics 119 (19), 10224-10236, 2003 | 27 | 2003 |
| Analysis of parameter values in the van der Waals and Platteeuw theory for methane hydrates using Monte Carlo molecular simulations S Ravipati, SN Punnathanam Industrial & engineering chemistry research 51 (27), 9419-9426, 2012 | 26* | 2012 |
| Theory of gas hydrates: effect of the approximation of rigid water lattice H Pimpalgaonkar, SK Veesam, SN Punnathanam The Journal of Physical Chemistry B 115 (33), 10018-10026, 2011 | 23 | 2011 |
| Parallel Tempering Simulations of Liquid-Phase Adsorption of n-Alkane Mixtures in Zeolite LTA-5A S Punnathanam, JFM Denayer, I Daems, GV Baron, RQ Snurr The Journal of Physical Chemistry C 115 (3), 762-769, 2011 | 22 | 2011 |
| A Gibbs-ensemble based technique for Monte Carlo simulation of electric double layer capacitors (EDLC) at constant voltage SN Punnathanam The Journal of chemical physics 140 (17), 2014 | 21 | 2014 |
| Free energy barriers for homogeneous crystal nucleation in a eutectic system of binary hard spheres SR Ganagalla, SN Punnathanam The Journal of Chemical Physics 138 (17), 2013 | 21 | 2013 |
| Calculation of three-phase methane–ethane binary clathrate hydrate phase equilibrium from Monte Carlo molecular simulations S Ravipati, SN Punnathanam Fluid Phase Equilibria 376, 193-201, 2014 | 18 | 2014 |
| Work of cavity formation inside a fluid using free-energy perturbation theory S Punnathanam, DS Corti Physical Review E 69 (3), 036105, 2004 | 17 | 2004 |
| Computational study of differences between antifreeze activity of type-III antifreeze protein from ocean pout and its mutant S Kumari, AV Muthachikavil, JK Tiwari, SN Punnathanam Langmuir 36 (9), 2439-2448, 2020 | 16 | 2020 |
| Improving the rigor and consistency of the thermodynamic theory for clathrate hydrates through incorporation of movement of water molecules of hydrate lattice S Ravipati, SN Punnathanam The Journal of Physical Chemistry C 119 (22), 12365-12377, 2015 | 14 | 2015 |
| Modeling of many-body interactions between elastic spheres through symmetry functions E Boattini, N Bezem, SN Punnathanam, F Smallenburg, L Filion The Journal of Chemical Physics 153 (6), 2020 | 13 | 2020 |
| Molecular simulation of homogeneous crystal nucleation of AB2 solid phase from a binary hard sphere mixture PK Bommineni, SN Punnathanam The Journal of Chemical Physics 147 (6), 2017 | 13 | 2017 |
| Calculation of chemical potentials and occupancies in clathrate hydrates through Monte Carlo molecular simulations S Ravipati, SN Punnathanam The Journal of Physical Chemistry C 117 (36), 18549-18555, 2013 | 13 | 2013 |
