| Room temperature methoxylation in zeolites: insight into a key step of the methanol-to-hydrocarbons process AJ O'malley, SF Parker, A Chutia, MR Farrow, IP Silverwood, ... Chemical Communications 52 (14), 2897-2900, 2016 | 71 | 2016 |
| Neutron spectroscopy as a tool in catalytic science AJ O'Malley, SF Parker, CRA Catlow Chemical Communications 53 (90), 12164-12176, 2017 | 51 | 2017 |
| Understanding the role of molecular diffusion and catalytic selectivity in liquid-phase beckmann rearrangement ME Potter, AJ O’malley, S Chapman, J Kezina, SH Newland, ... Acs Catalysis 7 (4), 2926-2934, 2017 | 40 | 2017 |
| Methanol diffusion in zeolite HY: a combined quasielastic neutron scattering and molecular dynamics simulation study AJ O'Malley, VG Sakai, IP Silverwood, N Dimitratos, SF Parker, ... Physical Chemistry Chemical Physics 18 (26), 17294-17302, 2016 | 40 | 2016 |
| Modelling metal centres, acid sites and reaction mechanisms in microporous catalysts AJ O'malley, AJ Logsdail, AA Sokol, CRA Catlow Faraday Discussions 188, 235-255, 2016 | 35 | 2016 |
| Effect of pore geometry on ultra-densified hydrogen in microporous carbons M Tian, MJ Lennox, AJ O’Malley, AJ Porter, B Krüner, S Rudić, TJ Mays, ... Carbon 173, 968-979, 2021 | 32 | 2021 |
| Molecular dynamics simulations of longer n-alkanes in silicalite: state-of-the-art models achieving close agreement with experiment AJ O'Malley, CRA Catlow Physical Chemistry Chemical Physics 17 (3), 1943-1948, 2015 | 32 | 2015 |
| Ammonia mobility in chabazite: insight into the diffusion component of the NH 3-SCR process AJ O'Malley, I Hitchcock, M Sarwar, IP Silverwood, S Hindocha, ... Physical Chemistry Chemical Physics 18 (26), 17159-17168, 2016 | 31 | 2016 |
| Molecular dynamics simulations of longer n-alkanes in silicalite: a comparison of framework and hydrocarbon models AJ O'Malley, CRA Catlow Physical Chemistry Chemical Physics 15 (43), 19024-19030, 2013 | 31 | 2013 |
| Molecular behaviour of methanol and dimethyl ether in H-ZSM-5 catalysts as a function of Si/Al ratio: a quasielastic neutron scattering study T Omojola, IP Silverwood, AJ O'Malley Catalysis Science & Technology 10 (13), 4305-4320, 2020 | 30 | 2020 |
| Computational QM/MM investigation of the adsorption of MTH active species in HY and H-ZSM-5 SAF Nastase, AJ O’Malley, CRA Catlow, AJ Logsdail Physical Chemistry Chemical Physics 21 (5), 2639-2650, 2019 | 28 | 2019 |
| Understanding dynamic properties of materials using neutron spectroscopy and atomistic simulation J Armstrong, AJ O’Malley, MR Ryder, KT Butler Journal of Physics Communications 4 (7), 072001, 2020 | 27 | 2020 |
| Comparing ammonia diffusion in NH 3-SCR zeolite catalysts: a quasielastic neutron scattering and molecular dynamics simulation study AJ O'Malley, M Sarwar, J Armstrong, CRA Catlow, IP Silverwood, ... Physical Chemistry Chemical Physics 20 (17), 11976-11986, 2018 | 27 | 2018 |
| Diffusion of Isobutane in Silicalite: a neutron spin–echo and molecular dynamics simulation study AJ O’malley, CRA Catlow, M Monkenbusch, H Jobic The Journal of Physical Chemistry C 119 (48), 26999-27006, 2015 | 27 | 2015 |
| The effects of MTG catalysis on methanol mobility in ZSM-5 SK Matam, AJ O'Malley, CRA Catlow, P Collier, AP Hawkins, A Zachariou, ... Catalysis Science & Technology 8 (13), 3304-3312, 2018 | 25 | 2018 |
| Mercury exchange in zeolites Na-A and Na-Y studied by classical molecular dynamics simulations and ion exchange experiments C Hernandez-Tamargo, B Kwakye-Awuah, AJ O’Malley, NH de Leeuw Microporous and Mesoporous Materials 315, 110903, 2021 | 24 | 2021 |
| Understanding the Role of Designed Solid Acid Sites in the Low‐Temperature Production of ϵ‐Caprolactam ME Potter, S Chapman, AJ O'Malley, A Levy, M Carravetta, TM Mezza, ... ChemCatChem 9 (11), 1897-1900, 2017 | 20 | 2017 |
| Sorbate dynamics in zeolite catalysts AJ O’Malley, CRA Catlow Experimental methods in the physical sciences 49, 349-401, 2017 | 20 | 2017 |
| Influence of topology and Brřnsted acid site presence on methanol diffusion in zeolites beta and MFI CH Botchway, R Tia, E Adei, AJ O’malley, NY Dzade, ... Catalysts 10 (11), 1342, 2020 | 17 | 2020 |
| A classical molecular dynamics study on the effect of Si/Al ratio and silanol nest defects on water diffusion in zeolite HY AJ Porter, AJ O’Malley The Journal of Physical Chemistry C 125 (21), 11567-11579, 2021 | 16 | 2021 |
