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Effect of Metal–Organic Framework (MOF) Database Selection on the Assessment of Gas Storage and Separation Potentials of MOFs

Development of computation‐ready metal–organic framework databases (MOF DBs) has accelerated high‐throughput computational screening (HTCS) of materials to identify the best candidates for gas storage and separation. These DBs were constructed using structural curations to make MOFs directly usable...

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Detalles Bibliográficos
Autores principales: Daglar, Hilal, Gulbalkan, Hasan Can, Avci, Gokay, Aksu, Gokhan Onder, Altundal, Omer Faruk, Altintas, Cigdem, Erucar, Ilknur, Keskin, Seda
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8049020/
https://www.ncbi.nlm.nih.gov/pubmed/33443312
http://dx.doi.org/10.1002/anie.202015250