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Analysis of Bonding by Quantum Chemistry—Resolving Delocalization Stabilization in a Mechanistic Basis and New Hückel Model
[Image: see text] No general and unique understanding of the mechanism of covalent bonding in physical terms is provided by current computational methods or by a consensus among experts. Bonding is studied by energy decomposition analysis but may also be related to the interatomic motion of valence...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10123672/ https://www.ncbi.nlm.nih.gov/pubmed/37040546 http://dx.doi.org/10.1021/acs.jpca.2c08497 |