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Identification of Unknown Inverted Singlet–Triplet Cores by High-Throughput Virtual Screening
[Image: see text] Molecules where the energy of the lowest excited singlet state is found below the energy of the lowest triplet state (inverted singlet–triplet molecules) are extremely rare. It is particularly challenging to discover new ones through virtual screening because the required wavefunct...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10510316/ https://www.ncbi.nlm.nih.gov/pubmed/37639703 http://dx.doi.org/10.1021/jacs.3c05452 |