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Updated: Jan 1, 2026

Spatial Separation of Molecular Conformers and Clusters
Published on: January 9, 2014
Magnetically Induced Current Density in Nonplanar Fully Benzenoid Hydrocarbons
Marija Antić1, Slađana Đorđević1, Boris Furtula1
1Faculty of Science , University of Kragujevac , P.O. Box 60, 34000 Kragujevac , Serbia.
Abstract:
In our recent paper, the effects of molecular planarity on the local aromaticity in several series of increasingly planar fully benzenoid hydrocarbons were examined. It was found that the Clar formulas can provide correct information on the local aromaticity distribution even in nonplanar fully benzenoid systems. In the present work, the influence of molecular planarity on the ab initio magnetically induced current densities was examined for the same sets of molecules. The planarity effects were rationalized by examining the origins of the induced current density through the virtual transitions between occupied and unoccupied molecular orbitals.
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