Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 48(20), p. 30239-30246, 2018
DOI: 10.1039/c8cp05694c
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Relations between the aromaticity and magnetic dipole transitions in the electronic spectra of hetero[8]circulenes
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Abstract
Magnetically induced current densities have been calculated at the second-order Møller–Plesset perturbation theory (MP2) level for seven hetero[8]circulenes and their dicationic and dianionic forms.