Just a few more images from my little pymol wrapper qc_pymol. These images show the electrostatic potential (ESP) of the ground state of uracil mapped onto the density using different isovalues. We start out close to the nuclei where the ESP is highly positive (purple). When we move away it becomes less positive (blue). And finally, we have a negative (orange) ESP at the oxygens and positive (blue) around the remaining molecule.
Jack Dunitz (1923-2021): Chemist And Writer Extraordinaire
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Every once in a while there is a person of consummate achievement in a
field, a person who while widely known to workers in that field is
virtually unkno...
1 week ago
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