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Measuring electric field (EF) strength and cavity volume. Visualized by the blue arrow in (a), EF is measured along the S–C bond axis at the center point of the bond. Charges and atom locations for the EF calculation are derived from the minimized AMBER structure. Inlay (b) shows a sample mesh from Mole2.0 used to calculate the cavity volume. Coverage denotes the percentage of SAM's heavy atoms whose centers are inside the mesh.
