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Figure 1
Crystal chemistry versus quantum chemistry results. The electron descriptors (a) ρc(ij) and (b) BOij, were obtained in this work by exponential fitting of equations (3)[link] and (1)[link], respectively, against the same descriptors calculated by quantum chemistry methods (literature data). n is the number of data points.

IUCrJ
Volume 5| Part 5| September 2018| Pages 542-547
ISSN: 2052-2525
https://doi.org/10.1107/S2052252518008254