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.
Origins of crystallisation-induced dual emission of terephthalic and
isophthalic acid crystals
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PCCP 2025 Metal-free organic crystals with room-temperature phosphorescence
(RTP) present an innovative alternative to conventional inorganic materials
for...
1 day ago
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