Last name: O'Malley

Given name: Alexander J.


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Articles (21): Ammonia mobility in chabazite: insight into the diffusion component of the NH3-SCR process Comparing ammonia diffusion in NH3-SCR zeolite catalysts: a quasielastic neutron scattering and molecular dynamics simulation study Comprehensive Vibrational Spectroscopic Characterization of Nylon-6 Precursors for Precise Tracking of the Beckmann Rearrangement Computational QM/MM investigation of the adsorption of MTH active species in H-Y and H-ZSM-5 Diffusion of Isobutane in Silicalite: A Neutron Spin–Echo and Molecular Dynamics Simulation Study Hydrocarbon Dynamics in Microporous Catalysts Integrated Theoretical and Empirical Studies for Probing Substrate–Framework Interactions in Hierarchical Catalysts Investigation of the Dynamics of 1-Octene Adsorption at 293 K in a ZSM-5 Catalyst by Inelastic and Quasielastic Neutron Scattering Local and nanoscale methanol mobility in different H-FER catalysts Methanol diffusion and dynamics in zeolite H-ZSM-5 probed by quasi-elastic neutron scattering and classical molecular dynamics simulations Methanol diffusion in zeolite HY: a combined quasielastic neutron scattering and molecular dynamics simulation study Methanol dynamics in H-ZSM-5 with Si/Al ratio of 25: a quasi-elastic neutron scattering (QENS) study Modelling metal centres, acid sites and reaction mechanisms in microporous catalysts Molecular dynamics simulations of longer n-alkanes in silicalite: a comparison of framework and hydrocarbon models Neutron spectroscopy as a tool in catalytic science Octane isomer dynamics in H-ZSM-5 as a function of Si/Al ratio: a quasi-elastic neutron scattering study Probing the dynamics and structure of confined benzene in MCM-41 based catalysts Room temperature methoxylation in zeolites: insight into a key step of the methanol-to-hydrocarbons process The effects of MTG catalysis on methanol mobility in ZSM-5 Understanding the Role of Designed Solid Acid Sites in the Low-Temperature Production of ϵ-Caprolactam Understanding the Role of Molecular Diffusion and Catalytic Selectivity in Liquid-Phase Beckmann Rearrangement

Expertise: Design, Transformations, Biocatalysis, Circular Economy, New Catalysts, Theses