Development of first principle based force fields to describe adsorption and diffusion in MOFs including lattice dynamics

V. Van Speybroeck, L. Vanduyfhuys, T. Verstraelen, M. Vandichel, J. Van der Mynsbrugge, M. Waroquier

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Talk

Conference / event / venue

Metal Organic Frameworks (MOF 2010)

Marseille, France

Sunday, 5 September, 2010 to Wednesday, 8 September, 2010