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Quadripartite bond length rule applied to two prototypical aromatic and antiaromatic molecules

CONTEXT: In 2000, a remarkably simple relationship was introduced, which connected the calculated geometries of isomolecular states of three different multiplicities. These encompass a ground single state, the first excited triplet state, as well as related radical anion and radical cation. The rule...

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Detalles Bibliográficos
Autores principales: Wolański, Łukasz, Grochala, Wojciech
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Berlin Heidelberg 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10008775/
https://www.ncbi.nlm.nih.gov/pubmed/36907940
http://dx.doi.org/10.1007/s00894-023-05498-4