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Figure 2
Electrostatic potential mapped onto an electron density isosurface with isovalue 0.02 e Å−3, calculated using B3LYP at the LANL2DZ level. Red and blue regions show negative and positive electric potentials, respectively. (a) shows the potential of the substituted chalcone mol­ecule. (b) and (c) show the σ-holes on 1-Ring and 3-Ring, respectively.

Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890
Volume 76| Part 1| January 2020| Pages 72-76
https://doi.org/10.1107/S2056989019016402
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