All-valence-electron CNDO/2 calculations correctly predict the directional and reactivity effects of substituents upon electrophilic aromatic substitution, and indicate that alternation of charge-density in the ring system is a feature of both σ- and π-type molecular orbitals.
G. R. Howe, J. Chem. Soc. D, 1970, 868a DOI: 10.1039/C2970000868A
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