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Electronic, redox, and optical property prediction of organic π-conjugated molecules through a hierarchy of machine learning approaches
Accelerating the development of π-conjugated molecules for applications such as energy generation and storage, catalysis, sensing, pharmaceuticals, and (semi)conducting technologies requires rapid and accurate evaluation of the electronic, redox, or optical properties. While high-throughput computat...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9769113/ https://www.ncbi.nlm.nih.gov/pubmed/36605753 http://dx.doi.org/10.1039/d2sc04676h |