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Valence Bond Theory Allows a Generalized Description of Hydrogen Bonding

[Image: see text] This paper describes the nature of the hydrogen bond (HB), B:---H–A, using valence bond theory (VBT). Our analysis shows that the most important HB interactions are polarization and charge transfer, and their corresponding sum displays a pattern that is identical for a variety of e...

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Detalles Bibliográficos
Autores principales: Shaik, Sason, Danovich, David, Zare, Richard N.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10510329/
https://www.ncbi.nlm.nih.gov/pubmed/37664980
http://dx.doi.org/10.1021/jacs.3c08196