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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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Detalles Bibliográficos
Autor principal: Nordholm, Sture
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
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