Figure 1.
Electrostatic and hydrophobic properties of arenes. DFT‐calculated (Gaussian: B3LYP/6‐311+ +G(2d,2p) level of theory) electrostatic surface potentials (−7.0 kcal mol−1 (red) to +7.0 kcal mol−1 (blue)) and clogP (ChemDraw 20.0).
Electrostatic and hydrophobic properties of arenes. DFT‐calculated (Gaussian: B3LYP/6‐311+ +G(2d,2p) level of theory) electrostatic surface potentials (−7.0 kcal mol−1 (red) to +7.0 kcal mol−1 (blue)) and clogP (ChemDraw 20.0).