Evaluation of atomic charges is the most straightforward way of quantifying charge distribution in chemical systems . In order to facilitate the understanding of charge distribution in the studied systems, several atomic charge calculation methods, including natural population analysis (NPA), Hirshfeld method, Hirshfeld-I method, atomic dipole moment corrected Hirshfeld population method (ADCH), and charges from electrostatic potentials using a grid-based method (CHELPG), were applied on benzene, carborazine, and borazine, and the results are shown in Table .