view article
Figure 4
A view of the Hirshfeld surface mapped over the calculated electrostatic potential for (I)[link]. The red and blue regions represent negative and positive electrostatic potentials, respectively. The potentials were calculated using the STO-3G basis set at Hartree–Fock level of theory over a range of ±0.18 atomic units.

Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890
Volume 75| Part 10| October 2019| Pages 1472-1478
https://doi.org/10.1107/S2056989019012581
Follow Acta Cryst. E
Sign up for e-alerts
E-alerts
Follow Acta Cryst. on Twitter
Twitter
Follow us on facebook
Facebook
Sign up for RSS feeds
RSS