Alexander James O'Malley
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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
Neutron spectroscopy as a tool in catalytic science
AJ O'Malley, SF Parker, CRA Catlow
Chemical Communications 53 (90), 12164-12176, 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
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
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
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
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
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
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
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
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
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
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
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
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
Sorbate dynamics in zeolite catalysts
AJ O’Malley, CRA Catlow
Experimental methods in the physical sciences 49, 349-401, 2017
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
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
Investigation of the dynamics of 1-octene adsorption at 293 K in a ZSM-5 catalyst by inelastic and quasielastic neutron scattering
AP Hawkins, AJ O’Malley, A Zachariou, P Collier, RA Ewings, ...
The Journal of Physical Chemistry C 123 (1), 417-425, 2018
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
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