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Ab initio parametrized force field for the flexible metal--organic framework mil-53 (al)

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Author

Dr. Matthias Vandichel

Authors

Vanduyfhuys, Louis and Verstraelen, Toon and Vandichel, Matthias and Waroquier, Michel and Van Speybroeck, Veronique

Year of Publication

2012

Journal

Journal of chemical theory and computation

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