Odd-Number Cyclo[n]Carbons Sustaining Alternating Aromaticity

[Image: see text] Cyclo[n]carbons (n = 5, 7, 9, ..., 29) composed from an odd number of carbon atoms are studied computationally at density functional theory (DFT) and ab initio complete active space self-consistent field (CASSCF) levels of theory to get insight into their electronic structure and a...

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Detalles Bibliográficos
Autores principales: Baryshnikov, Glib V., Valiev, Rashid R., Valiulina, Lenara I., Kurtsevich, Alexandr E., Kurtén, Theo, Sundholm, Dage, Pittelkow, Michael, Zhang, Jinglai, Ågren, Hans
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9059118/
https://www.ncbi.nlm.nih.gov/pubmed/35420813
http://dx.doi.org/10.1021/acs.jpca.1c08507

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