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Orbital-free photophysical descriptors to predict directional excitations in metal-based photosensitizers

The development of dye-sensitized solar cells, metalloenzyme photocatalysis or biological labeling heavily relies on the design of metal-based photosensitizes with directional excitations. Directionality is most often predicted by characterizing the excitations manually via canonical frontier orbita...

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Publicat a:Chem Sci
Autors principals: Sánchez-Murcia, Pedro A., Nogueira, Juan J., Plasser, Felix, González, Leticia
Format: Artigo
Idioma:Inglês
Publicat: Royal Society of Chemistry 2020
Matèries:
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC7425079/
https://ncbi.nlm.nih.gov/pubmed/32864087
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/d0sc01684e
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