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Identification via Virtual Screening of Emissive Molecules with a Small Exciton–Vibration Coupling for High Color Purity and Potential Large Exciton Delocalization
[Image: see text] A sequence of quantum chemical computations of increasing accuracy was used in this work to identify molecules with small exciton reorganization energy (exciton–vibration coupling), of interest for light emitting devices and coherent exciton transport, starting from a set of ∼4500...
| 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/PMC10165648/ https://www.ncbi.nlm.nih.gov/pubmed/37129191 http://dx.doi.org/10.1021/acs.jpclett.3c00749 |