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Utilizing the σ-complex stability for quantifying reactivity in nucleophilic substitution of aromatic fluorides

A computational approach using density functional theory to compute the energies of the possible σ-complex reaction intermediates, the “σ-complex approach”, has been shown to be very useful in predicting regioselectivity, in electrophilic as well as nucleophilic aromatic substitution. In this articl...

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Autors principals: Liljenberg, Magnus, Brinck, Tore, Rein, Tobias, Svensson, Mats
Format: Artigo
Idioma:Inglês
Publicat: Beilstein-Institut 2013
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC3678587/
https://ncbi.nlm.nih.gov/pubmed/23766792
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3762/bjoc.9.90
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