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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 (...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Elsevier
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8085598/ https://www.ncbi.nlm.nih.gov/pubmed/33982029 http://dx.doi.org/10.1016/j.patter.2021.100239 |