Energetics of Electron Pairs in Electrophilic Aromatic Substitutions

The interacting quantum atoms approach (IQA) as applied to the electron-pair exhaustive partition of real space induced by the electron localization function (ELF) is used to examine candidate energetic descriptors to rationalize substituent effects in simple electrophilic aromatic substitutions. It...

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Detalles Bibliográficos
Autores principales: Munárriz, Julen, Gallegos, Miguel, Contreras-García, Julia, Martín Pendás, Ángel
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7835785/
https://www.ncbi.nlm.nih.gov/pubmed/33478091
http://dx.doi.org/10.3390/molecules26020513

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7835785/
https://www.ncbi.nlm.nih.gov/pubmed/33478091
http://dx.doi.org/10.3390/molecules26020513

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