The right isotherms for the right reasons? Validation of generic force fields for prediction of methane adsorption in metal-organic frameworks

Lennox, MJ; Bound, M; Henley, A; Besley, E; (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 (10-11) pp. 828-837. 10.1080/08927022.2017.1301665 . Green open access

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