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Improved Predictive Tools for Structural Properties of Metal–Organic Frameworks

The accurate determination of structural parameters is necessary to understand the electronic and magnetic properties of metal–organic frameworks (MOFs) and is a first step toward accurate calculations of electronic structure and function for separations and catalysis. Theoretical structural determi...

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Detalles Bibliográficos
Autores principales:	Choudhuri, Indrani, Truhlar, Donald G.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2020
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7180546/ https://www.ncbi.nlm.nih.gov/pubmed/32231071 http://dx.doi.org/10.3390/molecules25071552

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