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A quantitative evaluation of computational methods to accelerate the study of alloxazine-derived electroactive compounds for energy storage
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 energy sto...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7892830/ https://www.ncbi.nlm.nih.gov/pubmed/33603045 http://dx.doi.org/10.1038/s41598-021-83605-2 |