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- W2040475090 abstract "Abstract The local nucleophilicity of simple substituted aromatic systems is shown to be described on a quantitative basis by using a condensed-to-atoms nucleophilicity index. This quantity constitutes an extension of the global nucleophilicity descriptor, N introduced for reagents in cycloaddition reactions and other organic molecules [Journal of Organic Chemistry 73 (2008) 4615–4624; Journal of Molecular Structure (THEOCHEM) 865 (2008) 68–72]. The local projection N k is performed on the basis of the normalization condition of the Fukui functions. It is shown that such a simple index provides useful clues about the director effects of the substituents on the electrophilic aromatic substitution (EAS) reactions of aromatic compounds. A discussion of the general frame of validity for the condensed-to-atoms model is presented." @default.
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- W2040475090 date "2009-02-01" @default.
- W2040475090 modified "2023-10-16" @default.
- W2040475090 title "A condensed-to-atom nucleophilicity index. An application to the director effects on the electrophilic aromatic substitutions" @default.
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- W2040475090 doi "https://doi.org/10.1016/j.theochem.2008.10.014" @default.
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