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Preview of machine learning the quantum-chemical properties of metal–organic frameworks for accelerated materials discovery

Metal–organic frameworks (MOFs) are a class of chemical compounds used for the storage of gases such as hydrogen and carbon dioxide. They also have potential applications in gas purification, catalysis and as supercapacitors. A database of quantum-chemical properties for over 14,000 MOF structures (...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Patterns (N Y)
1. Verfasser: Callaghan, Sarah
Format: Artigo
Sprache:Inglês
Veröffentlicht: Elsevier 2021
Schlagworte:
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC8085598/
https://ncbi.nlm.nih.gov/pubmed/33982029
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.patter.2021.100239
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