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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 | 225 | 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 | 164 | 2015 |
Molecular dynamics simulations of microwave heating of water NJ English, JMD MacElroy The Journal of chemical physics 118 (4), 1589-1592, 2003 | 157 | 2003 |
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 | 154 | 2010 |
Perspectives on molecular simulation of clathrate hydrates: Progress, prospects and challenges NJ English, JMD MacElroy Chemical Engineering Science 121, 133-156, 2015 | 151 | 2015 |
Molecular-dynamics simulations of methane hydrate dissociation NJ English, JK Johnson, CE Taylor The Journal of chemical physics 123 (24), 244503, 2005 | 150 | 2005 |
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 | 149 | 2007 |
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 | 136 | 2004 |
First-principles calculation of nitrogen-tungsten codoping effects on the band structure of anatase-titania R Long, NJ English Applied physics letters 94 (13), 132102, 2009 | 125 | 2009 |
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 | 121 | 2003 |
Structural and dynamical properties of methane clathrate hydrates NJ English, JMD MacElroy Journal of computational chemistry 24 (13), 1569-1581, 2003 | 112 | 2003 |
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 | 111 | 2009 |
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 | 95 | 2012 |
Denaturation of hen egg white lysozyme in electromagnetic fields: A molecular dynamics study NJ English, DA Mooney The Journal of Chemical Physics 126 (9), 03B401, 2007 | 94 | 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 | 91 | 2011 |
Magnetic properties of first-row element-doped ZnS semiconductors: A density functional theory investigation R Long, NJ English Physical Review B 80 (11), 115212, 2009 | 89 | 2009 |
Nonequilibrium molecular dynamics study of electric and low-frequency microwave fields on hen egg white lysozyme NJ English, GY Solomentsev, P O’Brien The Journal of chemical physics 131 (3), 07B614, 2009 | 89 | 2009 |
Mechanisms for thermal conduction in methane hydrate NJ English, ST John Physical review letters 103 (1), 015901, 2009 | 88 | 2009 |
Molecular dynamics study of thermal-driven methane hydrate dissociation NJ English, GM Phelan The Journal of chemical physics 131 (7), 074704, 2009 | 87 | 2009 |