Patterns of ring current in coronene isomers.
نویسندگان
چکیده
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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عنوان ژورنال:
- Acta chimica Slovenica
دوره 57 3 شماره
صفحات -
تاریخ انتشار 2010