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Figure 6
A view of the Hirshfeld surface mapped over the calculated electrostatic potential for (I)[link]. The potentials were calculated using the STO-3 G basis set at the Hartree–Fock level of theory over a range of −0.067 to 0.040 a.u. The red and blue regions represent negative and positive electrostatic potentials, respectively.

Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890
Volume 76| Part 7| July 2020| Pages 1080-1086
https://doi.org/10.1107/S2056989020007914
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