| The role of molecular modeling in confined systems: impact and prospects KE Gubbins, YC Liu, JD Moore, JC Palmer Physical Chemistry Chemical Physics 13 (1), 58-85, 2011 | 195 | 2011 |
| Molecular modeling of matter: Impact and prospects in engineering KE Gubbins, JD Moore Industrial & Engineering Chemistry Research 49 (7), 3026-3046, 2010 | 157 | 2010 |
| Adsorptive behavior of CO 2, CH 4 and their mixtures in carbon nanospace: a molecular simulation study JC Palmer, JD Moore, TJ Roussel, JK Brennan, KE Gubbins Physical Chemistry Chemical Physics 13 (9), 3985-3996, 2011 | 82 | 2011 |
| Diffusion dynamics of water controlled by topology of potential energy surface inside carbon nanotubes YC Liu, JW Shen, KE Gubbins, JD Moore, T Wu, Q Wang Physical Review B—Condensed Matter and Materials Physics 77 (12), 125438, 2008 | 77 | 2008 |
| A coarse-grain force field for RDX: Density dependent and energy conserving JD Moore, BC Barnes, S Izvekov, M Lísal, MS Sellers, DCE Taylor, ... The Journal of Chemical Physics 144 (10), 2016 | 74 | 2016 |
| Coarse-grain model simulations of nonequilibrium dynamics in heterogeneous materials JK Brennan, M Lísal, JD Moore, S Izvekov, IV Schweigert, JP Larentzos The journal of physical chemistry letters 5 (12), 2144-2149, 2014 | 69 | 2014 |
| Entropy scaling based viscosity predictions for hydrocarbon mixtures and diesel fuels up to extreme conditions HB Rokni, JD Moore, A Gupta, MA McHugh, M Gavaises Fuel 241, 1203-1213, 2019 | 64 | 2019 |
| Purely predictive method for density, compressibility, and expansivity for hydrocarbon mixtures and diesel and jet fuels up to high temperatures and pressures HB Rokni, A Gupta, JD Moore, MA McHugh, BA Bamgbade, M Gavaises Fuel 236, 1377-1390, 2019 | 59 | 2019 |
| Energetics investigation on encapsulation of protein/peptide drugs in carbon nanotubes Q Chen, Q Wang, YC Liu, T Wu, Y Kang, JD Moore, KE Gubbins The Journal of chemical physics 131 (1), 2009 | 59 | 2009 |
| Adsorption and diffusion of argon confined in ordered and disordered microporous carbons JD Moore, JC Palmer, YC Liu, TJ Roussel, JK Brennan, KE Gubbins Applied Surface Science 256 (17), 5131-5136, 2010 | 57 | 2010 |
| Transition from single-file to Fickian diffusion for binary mixtures in single-walled carbon nanotubes Q Chen, JD Moore, YC Liu, TJ Roussel, Q Wang, T Wu, KE Gubbins The Journal of chemical physics 133 (9), 2010 | 50 | 2010 |
| Parallel implementation of isothermal and isoenergetic dissipative particle dynamics using Shardlow-like splitting algorithms JP Larentzos, JK Brennan, JD Moore, M Lísal, WD Mattson Computer Physics Communications 185 (7), 1987-1998, 2014 | 44 | 2014 |
| Simulating local adsorption isotherms in structurally complex porous materials: A direct assessment of the slit pore model JC Palmer, JD Moore, JK Brennan, KE Gubbins The Journal of Physical Chemistry Letters 2 (3), 165-169, 2011 | 39 | 2011 |
| Dual diffusion mechanism of argon confined in single-walled carbon nanotube bundles YC Liu, JD Moore, TJ Roussel, KE Gubbins Physical Chemistry Chemical Physics 12 (25), 6632-6640, 2010 | 35 | 2010 |
| Effect of composition, temperature, and pressure on the viscosities and densities of three diesel fuels AJ Rowane, V Mahesh Babu, HB Rokni, JD Moore, M Gavaises, ... Journal of Chemical & Engineering Data 64 (12), 5529-5547, 2019 | 34 | 2019 |
| Adsorption and diffusion of argon in disordered nanoporous carbons JC Palmer, JD Moore, JK Brennan, KE Gubbins Adsorption 17, 189-199, 2011 | 34 | 2011 |
| Mechanochemistry of phosphate esters confined between sliding iron surfaces C Ayestarán Latorre, JE Remias, JD Moore, HA Spikes, D Dini, JP Ewen Communications Chemistry 4 (1), 178, 2021 | 32 | 2021 |
| Substituent effects on the thermal decomposition of phosphate esters on ferrous surfaces JP Ewen, CA Latorre, C Gattinoni, A Khajeh, JD Moore, JE Remias, ... The Journal of Physical Chemistry C 124 (18), 9852-9865, 2020 | 32 | 2020 |
| General method for prediction of thermal conductivity for well-characterized hydrocarbon mixtures and fuels up to extreme conditions using entropy scaling HB Rokni, JD Moore, A Gupta, MA McHugh, RR Mallepally, M Gavaises Fuel 245, 594-604, 2019 | 31 | 2019 |
| RNA interference with zilebesiran for mild to moderate hypertension: the KARDIA-1 Randomized Clinical Trial GL Bakris, M Saxena, A Gupta, F Chalhoub, J Lee, D Stiglitz, N Makarova, ... JAMA 331 (9), 740-749, 2024 | 26 | 2024 |
