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Molecular Simulation Volume 43, 2017 - Issue 10-11: Energy Applications
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Energy Applications

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

Matthew J. LennoxCentre for Advanced Separations Engineering, Department of Chemical Engineering, University of Bath, Bath, UK
,
Michelle BoundComputational and Theoretical Chemistry, School of Chemistry, University of Nottingham, Nottingham, UK
,
Alice HenleyComputational and Theoretical Chemistry, School of Chemistry, University of Nottingham, Nottingham, UK
&
Elena BesleyComputational and Theoretical Chemistry, School of Chemistry, University of Nottingham, Nottingham, UKCorrespondence[email protected]
Pages 828-837 | Received 22 Nov 2016, Accepted 25 Feb 2017, Published online: 15 Mar 2017

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