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Modelling photophysical properties of metal–organic frameworks: a density functional theory based approach

Design of optical properties within metal–organic frameworks (MOFs) is a subject of ever increasing attention in recent years with theoretical approaches poised to play a key role alongside experiment in both the understanding of fundamental mechanisms and the further development of high performance materials. We h

Authors:   Liam Wilbraham; François-Xavier Coudert; Ilaria Ciofini
Journal:   Physical Chemistry Chemical Physics
DOI:   10.1039/C6CP04056J
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