| Nonequilibrium molecular dynamics simulation of diffusion and flow in thin microporous membranes JMD MacElroy The Journal of Chemical Physics 101 (6), 5274-5280, 1994 | 218 | 1994 |
| Molecular dynamics simulations of microwave heating of water NJ English, JMD MacElroy The Journal of chemical physics 118 (4), 1589-1592, 2003 | 188 | 2003 |
| Perspectives on molecular simulation of clathrate hydrates: Progress, prospects and challenges NJ English, JMD MacElroy Chemical Engineering Science 121, 133-156, 2015 | 186 | 2015 |
| Activation of hematite nanorod arrays for photoelectrochemical water splitting R Morrish, M Rahman, JM MacElroy, CA Wolden Wiley, 2011 | 184 | 2011 |
| A comprehensive review on the application of aerogels in CO2-adsorption: Materials and characterisation L Keshavarz, MR Ghaani, JMD MacElroy, NJ English Chemical Engineering Journal 412, 128604, 2021 | 162 | 2021 |
| Theoretical studies of the kinetics of methane hydrate crystallization in external electromagnetic fields NJ English, JMD MacElroy The Journal of chemical physics 120 (21), 10247-10256, 2004 | 157 | 2004 |
| Hydrogen bonding and molecular mobility in liquid water in external electromagnetic fields NJ English, JMD MacElroy The Journal of chemical physics 119 (22), 11806-11813, 2003 | 144 | 2003 |
| Dependence of the solvent diffusion coefficient on concentration in polymer solutions RA Waggoner, FD Blum, JMD MacElroy Macromolecules 26 (25), 6841-6848, 1993 | 140 | 1993 |
| Carbon-Doped TiO2 and Carbon, Tungsten-Codoped TiO2 through Sol–Gel Processes in the Presence of Melamine Borate: Reflections through Photocatalysis EM Neville, MJ Mattle, D Loughrey, B Rajesh, M Rahman, JMD MacElroy, ... The Journal of Physical Chemistry C 116 (31), 16511-16521, 2012 | 138 | 2012 |
| Adsorption and diffusion of a Lennard‐Jones vapor in microporous silica JMD MacElroy, K Raghavan The Journal of chemical physics 93 (3), 2068-2079, 1990 | 138 | 1990 |
| Photolytic water oxidation catalyzed by a molecular carbene iridium complex A Petronilho, M Rahman, JA Woods, H Al-Sayyed, H Müller-Bunz, ... Dalton Transactions 41 (42), 13074-13080, 2012 | 117 | 2012 |
| Structural and dynamical properties of methane clathrate hydrates NJ English, JMD MacElroy Journal of computational chemistry 24 (13), 1569-1581, 2003 | 113 | 2003 |
| Molecular dynamics study of water in contact with the TiO2 rutile-110, 100, 101, 001 and anatase-101, 001 surface RS Kavathekar, P Dev, NJ English, JMD MacElroy Molecular Physics 109 (13), 1649-1656, 2011 | 107 | 2011 |
| A theoretical study of the phase diagrams of simple fluids confined within narrow pores EV Votyakov, YK Tovbin, JMD MacElroy, A Roche Langmuir 15 (18), 5713-5721, 1999 | 93 | 1999 |
| Deposition and characterization of NiOx coatings by magnetron sputtering for application in dye-sensitized solar cells M Awais, M Rahman, JMD MacElroy, N Coburn, D Dini, JG Vos, ... Surface and Coatings Technology 204 (16-17), 2729-2736, 2010 | 87 | 2010 |
| Nonequilibrium molecular dynamics simulation of a model carbon membrane separation of CH4/H2 mixtures JMD MacElroy, MJ Boyle Chemical Engineering Journal 74 (1-2), 85-97, 1999 | 83 | 1999 |
| The molecular sieving mechanism in carbon molecular sieves: a molecular dynamics and critical path analysis NA Seaton, SP Friedman, JMD MacElroy, BJ Murphy Langmuir 13 (5), 1199-1204, 1997 | 83 | 1997 |
| Computer simulation of moderately dense hard-sphere fluids and mixtures in microcapillaries JMD MacElroy, SH Suh Molecular Physics 60 (2), 475-501, 1987 | 78 | 1987 |
| Molecular modeling of thermo-responsive hydrogels: observation of lower critical solution temperature S Deshmukh, DA Mooney, T McDermott, S Kulkarni, JMD MacElroy Soft Matter 5 (7), 1514-1521, 2009 | 75 | 2009 |
| Microwave Parallel Library Generation: Comparison of a Conventional- and Microwave-Generated Substituted 4(5)-Sulfanyl-1H-imidazole Library CM Coleman, JMD MacElroy, JF Gallagher, DF O'Shea Journal of Combinatorial Chemistry 4 (1), 87-93, 2002 | 74 | 2002 |
