view article

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.

ISSN: 2056-9890
Follow Acta Cryst. E
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds