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

Internet

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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