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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| Format: | Journal article |
| Language: | English |
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Cell Press
2021
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