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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

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