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Elucidating the Vibrational Fingerprint of the Flexible Metal–Organic Framework MIL-53(Al) Using a Combined Experimental/Computational Approach

[Image: see text] In this work, mid-infrared (mid-IR), far-IR, and Raman spectra are presented for the distinct (meta)stable phases of the flexible metal–organic framework MIL-53(Al). Static density functional theory (DFT) simulations are performed, allowing for the identification of all IR-active m...

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Detalles Bibliográficos
Autores principales:	Hoffman, Alexander E. J., Vanduyfhuys, Louis, Nevjestić, Irena, Wieme, Jelle, Rogge, Sven M. J., Depauw, Hannes, Van Der Voort, Pascal, Vrielinck, Henk, Van Speybroeck, Veronique
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2018
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5808359/ https://www.ncbi.nlm.nih.gov/pubmed/29449906 http://dx.doi.org/10.1021/acs.jpcc.7b11031

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