A quantitative evaluation of computational methods to accelerate the study of alloxazine-derived electroactive compounds for energy storage
Abstract Alloxazines are a promising class of organic electroactive compounds for application in aqueous redox flow batteries (ARFBs), whose redox properties need to be tuned further for higher performance. High-throughput computational screening (HTCS) enables rational and time-efficient study of e...
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| Auteurs principaux: | , , |
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| Format: | article |
| Langue: | EN |
| Publié: |
Nature Portfolio
2021
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| Sujets: | |
| Accès en ligne: | https://doaj.org/article/511bc1d3d4294d7fb302da5b5350bb5b |
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