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Article

Lennox, Matthew J. and Bound, Michelle and Henley, Alice and Besley, Elena (2017) The right isotherms for the right reasons?: validation of generic force fields for prediction of methane adsorption in metal-organic frameworks. Molecular Simulation, 43 . pp. 828-837. ISSN 1029-0435

Henley, Alice and Lennox, Matthew J. and Easun, Timothy L. and Moreau, Florian and Schröder, Martin and Besley, Elena (2016) Computational evaluation of the impact of incorporated nitrogen and oxygen heteroatoms on the affinity of polyaromatic ligands for carbon dioxide and methane in metal–organic frameworks. Journal of Physical Chemistry C, 48 (120). pp. 27342-27348. ISSN 1932-7455

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