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In this paper, a computational study on the first stages of the nitration of benzene, phenol and benzonitrile is presented. It is found that at the B3LYP/6-31G* and B3LYP/6-31+G* levels of theory the σ-complexes associated with these reactions show local diamagnetic effects of much less intensity than the aromaticity associated with ring currents. It is found that these diamagnetic effects are more...
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