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

Title
Modeling flexibility in metal–organic frameworks: Comparison between Density-Functional Tight-Binding and Universal Force Field approaches for bonded interactions
Authors
Keywords
-
Journal
MICROPOROUS AND MESOPOROUS MATERIALS
Volume 163, Issue -, Pages 215-220
Publisher
Elsevier BV
Online
2012-07-20
DOI
10.1016/j.micromeso.2012.07.026

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