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Figure 11
Electrostatic potential maps reconstructed from group dipole moments (database) compared to exact electrostatic potential (atomic distribution) obtained via quantum chemical calculations. Isodensity surface is drawn at 0.01 a.u. level. Reproduced from Ligorio et al. (2022BB193) with permission from the from the PCCP Owner Societies.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 80| Part 4| August 2024| Pages 249-274
https://doi.org/10.1107/S2052520624003421
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