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Excited-State Aromaticity Reversals in Naphthalene and Anthracene

[Image: see text] Aromaticity reversals between the electronic ground (S(0)) and low-lying singlet (S(1), S(2)) and triplet (T(1), T(2), T(3)) states of naphthalene and anthracene are investigated by calculating the respective off-nucleus isotropic magnetic shielding distributions using complete-act...

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Detalles Bibliográficos
Autores principales: Karadakov, Peter B., Al-Yassiri, Muntadar A. H.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10108368/
https://www.ncbi.nlm.nih.gov/pubmed/37010990
http://dx.doi.org/10.1021/acs.jpca.3c00485