view article
Figure 5
2D contour diagrams of L(r) for the complexes of pyridine with (a) I2, (b) ICN, (c) Br2 and (d) BrCN using the B3LYP wavefunctions. Solid-red and dashed-blue lines correspond to positive and negative contours, respectively.

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