Toward a Generalized Hückel Rule: The Electronic Structure of Carbon Nanocones

[Image: see text] In this work, we investigate a particular class of carbon nanocones, which we name graphannulenes, and present a generalized Hückel rule (GHR) that predicts the character of their ground state based on simply the three topological indices that uniquely define them. Importantly, thi...

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Detalles Bibliográficos
Autores principales: Apriliyanto, Yusuf Bramastya, Battaglia, Stefano, Evangelisti, Stefano, Faginas-Lago, Noelia, Leininger, Thierry, Lombardi, Andrea
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8607423/
https://www.ncbi.nlm.nih.gov/pubmed/34734525
http://dx.doi.org/10.1021/acs.jpca.1c06402

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8607423/
https://www.ncbi.nlm.nih.gov/pubmed/34734525
http://dx.doi.org/10.1021/acs.jpca.1c06402

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