6 Apr 2013

What do the colors mean in computational chemistry?

Submitted by Joanne Stewart, Hope College

Computational chemistry can provide beautiful images of electrostatic potentials, electron densities, and nucleophilic (HOMO) or electrophilic (LUMO) electron densities (indicating most likely site for electrophilic or nucleophilic attack). These images use color to represent different potentials or densities. Do you make any assumptions about the meanings of the colors?


Maybe I'm wrong to ASSUME?