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Figure 2
Relationships between electron density at the X⋯N BCP, ρ(rBCP) and exchange-correlation contribution to the XB energy obtained at the B3LYP level of theory for complexes formed with (a) iodine and (b) bromine derivatives.

IUCrJ
Volume 12| Part 2| March 2025| Pages 188-197
ISSN: 2052-2525
https://doi.org/10.1107/S2052252525000363