Published in
Royal Society of Chemistry, Journal of Materials Chemistry A: materials for energy and sustainability, 33(10), p. 17254-17266, 2022
DOI: 10.1039/d2ta01678h
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Unfolding the terahertz spectrum of soft porous crystals: rigid unit modes and their impact on phase transitions
Journal article published in 2022 by
Alexander E. J. Hoffman 
,
Irena Senkovska ,
Jelle Wieme ,
Alexander Krylov ,
Stefan Kaskel,
Veronique Van Speybroeck
,
Irena Senkovska ,
Jelle Wieme ,
Alexander Krylov ,
Stefan Kaskel,
Veronique Van Speybroeck
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Abstract
The flexibility of soft porous crystals is influenced by RUMs. Via static DFT calculations, the effect of building block substitutions on the RUMs in winerack MOFs is investigated, giving insight in the flexible nature of these frameworks.