Figure 2.
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).
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