Distinguishing Aromaticity from Antiaromaticity with Information-Theoretic and Energetic Information Quantities and Their Links to Molecular Properties

dispersion coefficient, Hirshfeld charge, and electron density, uncovering the intrinsic connections between electron delocalization and molecular response properties. Furthermore, the four properties demonstrate strong linear correlations with the ITA and energetic information quantities. This study should have provided new qualitative and quantitative perspectives and insights into understanding aromatic and antiaromatic propensities of molecular systems.