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Molecular dynamics simulations to study methane motions in ZSM-5 and Silicalite

Hawkins, A., Zachariou, A., Silverwood, I., Yong, C., Collier, P., Todorov, I., Howe, R., Parker, S. and Lennon, D. (2026) Molecular dynamics simulations to study methane motions in ZSM-5 and Silicalite. [Data Collection]

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Collection description

This dataset contains molecular dynamics (MD) simulations performed using the DL-POLY MD code and used in the paper “Combining Quasielastic Neutron Scattering and Molecular Dynamics to Study Methane Motions in ZSM-5” [J. Chem. Phys. 2022, 157 (18), 184702.] Simulation inputs, outputs and analysis used in the paper are included.

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Keywords: Molecular Dynamics (MD); Methane; Zeolites; Diffusion; DL_POLY
College / School: College of Science and Engineering > School of Chemistry
Date Deposited: 22 Oct 2026 10:34
URI: https://researchdata.gla.ac.uk/id/eprint/2446

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Hawkins, A., Zachariou, A., Silverwood, I., Yong, C., Collier, P., Todorov, I., Howe, R., Parker, S. and Lennon, D. (2026); Molecular dynamics simulations to study methane motions in ZSM-5 and Silicalite

University of Glasgow

https://researchdata.gla.ac.uk/2446

Retrieved: 2026-10-23

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