Factors Impacting σ- and π-Hole Regions as Revealed by the Electrostatic Potential and Its Source Function Reconstruction: The Case of 4,4′-Bipyridine Derivatives

Positive electrostatic potential (V) values are often associated with σ- and π-holes, regions of lower electron density which can interact with electron-rich sites to form noncovalent interactions. Factors impacting σ- and π-holes may thus be monitored in terms of the shape and values of the resulti...

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Detalles Bibliográficos
Autores principales: Gatti, Carlo, Dessì, Alessandro, Dallocchio, Roberto, Mamane, Victor, Cossu, Sergio, Weiss, Robin, Pale, Patrick, Aubert, Emmanuel, Peluso, Paola
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7582854/
https://www.ncbi.nlm.nih.gov/pubmed/32992941
http://dx.doi.org/10.3390/molecules25194409

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7582854/
https://www.ncbi.nlm.nih.gov/pubmed/32992941
http://dx.doi.org/10.3390/molecules25194409

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