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Clarifying the quantum mechanical origin of the covalent chemical bond

Lowering of the electron kinetic energy (KE) upon initial encounter of radical fragments has long been cited as the primary origin of the covalent chemical bond based on Ruedenberg’s pioneering analysis of H[Formula: see text] and H(2) and presumed generalization to other bonds. This work reports KE...

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Detalles Bibliográficos
Autores principales: Levine, Daniel S., Head-Gordon, Martin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7524788/
https://www.ncbi.nlm.nih.gov/pubmed/32994392
http://dx.doi.org/10.1038/s41467-020-18670-8