Mechanical Properties from Periodic Plane Wave Quantum Mechanical Codes: The Challenge of the Flexible Nanoporous MIL-47(V) Framework

The Journal of Physical Chemistry C

DOI: 10.1021/acs.jpcc.5b06809

Danny E. P. Vanpoucke, Kurt Lejaeghere, Veronique Van Speybroeck, Michel Waroquier and An Ghysels
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