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Article
McCready, Connaire and Asif, Khadija and Blaney, Rhys and Gomes, José R.B. and Fletcher, Ashleigh and Jorge, Miguel (2025) Systematic assessment of generic force fields for CO2 adsorption in metal-organic frameworks. Microporous and Mesoporous Materials, 397. 113788. ISSN 1387-1811
McCready, Connaire and Sladekova, Kristina and Conroy, Stuart and Gomes, José R. B. and Fletcher, Ashleigh J. and Jorge, Miguel (2024) Quantifying the uncertainty of force field selection on adsorption predictions in MOFs. Journal of Chemical Theory and Computation, 20 (11). pp. 4869-4884. ISSN 1549-9618
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