Figure 3From: Modeling skin sensitization potential of mechanistically hard-to-be-classified aniline and phenol compounds with quantum mechanistic properties The structures, energies and shapes of HOMO, and charge density of representative anilines and phenols. Anilines (left column: aniline, 4-aminobenzoic acid, and 2-fluoro-5-nitroaniline); Phenols (right column: eugenol, salicylic acid, and 3-hydroxy-4-nitrobenzoic acid). The unit of the energy is hartree.Back to article page