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Acta Chim Slov. 2010 Sep;57(3):507-12.

Patterns of ring current in coronene isomers.

Acta chimica Slovenica

Alexandru T Balaban, David E Bean, Patrick W Fowler

PMID: 24061793

Abstract

The ipsocentric pseudo-p model is used to predict maps of induced current density for isomeric variations of coronene in which the central hexagonal ring is surrounded by 5, 6, and 7-membered rings. All isomers in the set are predicted to support strong diatropic perimeter ring currents, thereby conforming to the magnetic criterion of aromaticity.

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