Force fields: Alkanes in nanoporous materials

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  1. D. Dubbeldam, S. Calero, T. J. H. Vlugt, R. Krishna, T. L. M. Maesen, and B. Smit "United Atom Force Field for Alkanes in Nanoporous Materials", The Journal of Physical Chemistry B (Materials) 108 pp. 12301 - 12313 (2004)