Abstract
Charge-density calculations have been made on six aromatic molecules by making use ofHückel MOLCAO andDel Re methods and correlated with experimental activation energy values to test certain earlier interpretations given.
Zusammenfassung
Für sechs aromatische Moleküle wurden mittelsHückelrechnung (MO-LCAO) und nach der Methode vonDel Re die Ladungsdichten errechnet und diese mit experimentellen Aktivierungsenergien korreliert.
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Nanjan, M.J., Kannappan, V. & Ganesan, R. Charge density—Activation energy correlations in electrophilic aromatic substitution reactions. Monatshefte für Chemie 112, 581–585 (1981). https://doi.org/10.1007/BF00899672
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DOI: https://doi.org/10.1007/BF00899672