In silico design and screening of hypothetical MOF-74 analogs and their experimental synthesis

In this work we present the in silico design of metal-organic frameworks (MOFs) exhibiting 1-dimensional rod topologies. We introduce an algorithm for construction of this family of MOF topologies, and illustrate its application for enumerating MOF-74-type analogs. Furthermore, we perform a broad se...

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Detalles Bibliográficos
Autores principales: Witman, Matthew, Ling, Sanliang, Anderson, Samantha, Tong, Lianheng, Stylianou, Kyriakos C., Slater, Ben, Smit, Berend, Haranczyk, Maciej
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Royal Society of Chemistry 2016
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6024208/
https://www.ncbi.nlm.nih.gov/pubmed/30034767
http://dx.doi.org/10.1039/c6sc01477a

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