An extensive comparative analysis of two MOF databases: high-throughput screening of computation-ready MOFs for CH 4 and H 2 adsorption

Computation-ready metal–organic framework (MOF) databases (DBs) have tremendous value since they provide directly useable crystal structures for molecular simulations. The currently available two DBs, the CoRE DB (computation-ready, experimental MOF database) and CSDSS DB (Cambridge Structural Datab...

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Veröffentlicht in:	Journal of materials chemistry. A, Materials for energy and sustainability Materials for energy and sustainability, 2019-04, Vol.7 (16), p.9593-9608
Hauptverfasser:	Altintas, Cigdem, Avci, Gokay, Daglar, Hilal, Nemati Vesali Azar, Ayda, Erucar, Ilknur, Velioglu, Sadiye, Keskin, Seda
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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