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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...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2021
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| 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 |