Chem 106 Crystal Violet Surface
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The electron density surface defines the overall shape of the molecule. The surface shown here connects all the points around the molecule where the electron density = 0.025 e-/unit volume. About 91% of the molecule's electrons are located within this volume. Space-filling models approximate the electron density surface.
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Theory:
B3LYP; basis: 6-31G(d,p); solvation: SMD.