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In Silico Screening of Metal−Organic Frameworks and Zeolites for He/N(2) Separation

In silico screening of 10,143 metal−organic frameworks (MOFs) and 218 all-silica zeolites for adsorption-based and membrane-based He and N(2) separation was performed. As a result of geometry-based prescreening, structures having zero accessible surface area (ASA) and pore limiting diameter (PLD) le...

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Detalles Bibliográficos
Autores principales: Grenev, Ivan V., Gavrilov, Vladimir Yu.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9822448/
https://www.ncbi.nlm.nih.gov/pubmed/36615216
http://dx.doi.org/10.3390/molecules28010020