Modeling flexibility in metal–organic frameworks:...

Microporous and Mesoporous Materials 2012 / 11 Vol. 163

Modeling flexibility in metal–organic frameworks: Comparison between Density-Functional Tight-Binding and Universal Force Field approaches for bonded interactions

Garberoglio, Giovanni, Taioli, Simone
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Volume:
163
Language:
english
Journal:
Microporous and Mesoporous Materials
DOI:
10.1016/j.micromeso.2012.07.026
Date:
November, 2012
File:
PDF, 629 KB
english, 2012
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