| Gas hydrates in sustainable chemistry A Hassanpouryouzband, E Joonaki, MV Farahani, S Takeya, C Ruppel, ... Chemical society reviews 49 (15), 5225-5309, 2020 | 508 | 2020 |
| Photo-induced Charge Separation across the Graphene–TiO2 Interface Is Faster than Energy Losses: A Time-Domain ab Initio Analysis R Long, NJ English, OV Prezhdo Journal of the American Chemical Society 134 (34), 14238-14248, 2012 | 243 | 2012 |
| Perspectives on external electric fields in molecular simulation: progress, prospects and challenges NJ English, CJ Waldron Physical Chemistry Chemical Physics 17 (19), 12407-12440, 2015 | 223 | 2015 |
| Molecular dynamics simulations of microwave heating of water NJ English, JMD MacElroy The Journal of chemical physics 118 (4), 1589-1592, 2003 | 179 | 2003 |
| Perspectives on molecular simulation of clathrate hydrates: Progress, prospects and challenges NJ English, JMD MacElroy Chemical Engineering Science 121, 133-156, 2015 | 171 | 2015 |
| Thermal conductivity of methane hydrate from experiment and molecular simulation EJ Rosenbaum, NJ English, JK Johnson, DW Shaw, RP Warzinski The Journal of Physical Chemistry B 111 (46), 13194-13205, 2007 | 171 | 2007 |
| Molecular-dynamics simulations of methane hydrate dissociation NJ English, JK Johnson, CE Taylor The Journal of chemical physics 123 (24), 2005 | 169 | 2005 |
| Synergistic effects on band gap-narrowing in titania by codoping from first-principles calculations R Long, NJ English Chemistry of Materials 22 (5), 1616-1623, 2010 | 162 | 2010 |
| 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 | 153 | 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 | 136 | 2003 |
| First-principles calculation of nitrogen-tungsten codoping effects on the band structure of anatase-titania R Long, NJ English Applied physics letters 94 (13), 2009 | 133 | 2009 |
| Band gap engineering of (N, Ta)-codoped TiO2: A first-principles calculation R Long, NJ English Chemical Physics Letters 478 (4-6), 175-179, 2009 | 123 | 2009 |
| Structural and dynamical properties of methane clathrate hydrates NJ English, JMD MacElroy Journal of computational chemistry 24 (13), 1569-1581, 2003 | 113 | 2003 |
| 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 | 111 | 2021 |
| Denaturation of hen egg white lysozyme in electromagnetic fields: A molecular dynamics study NJ English, DA Mooney The Journal of Chemical Physics 126 (9), 2007 | 105 | 2007 |
| 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 | 104 | 2011 |
| Methane clathrate hydrate nucleation mechanism by advanced molecular simulations M Lauricella, S Meloni, NJ English, B Peters, G Ciccotti The Journal of Physical Chemistry C 118 (40), 22847-22857, 2014 | 103 | 2014 |
| Molecular dynamics study of thermal-driven methane hydrate dissociation NJ English, GM Phelan The Journal of chemical physics 131 (7), 2009 | 101 | 2009 |
| Determining the appropriate exchange-correlation functional for time-dependent density functional theory studies of charge-transfer excitations in organic dyes P Dev, S Agrawal, NJ English The Journal of Chemical Physics 136 (22), 2012 | 100 | 2012 |
| Controlled semiconductor nanorod assembly from solution: influence of concentration, charge and solvent nature A Singh, RD Gunning, S Ahmed, CA Barrett, NJ English, JA Garate, ... Journal of Materials Chemistry 22 (4), 1562-1569, 2012 | 99 | 2012 |
