Fig. 1From: RegioSQM20: improved prediction of the regioselectivity of electrophilic aromatic substitutionsThe mechanism of an electrophilic aromatic substitution (EAS) reaction using fluorobenzene as an example. RegioSQM approximates the Br \(\sigma \)-complex as protonation (shown as blue structures) and determines regioselectivity by finding the protonated isomer with lowest free energyBack to article page