Chem 106 Malachite Green Surface
The electrostatic potential surface is based on the total electron density surface, where the electrostatic potential at various points around the surface is "painted on" using a color scale. If there is a slight excess of electrons, the surface area is red or orange. If the negative charge of electrons and the positive charge of nearby nuclei are balanced, the surface is green. If there is a paucity of local electrons, the surface is blue. |
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Theory: B3LYP; basis: 6-31G(d,p);
solvation: SMD.