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Figure 9
Molecule⋯molecule covalent RGBIs versus intermolecular interaction energies (in kcal mol−1 calculated at the M062x/def2TZVP level; 1 kcal mol−1 = 4.184 kJ mol−1) for hydrogen bonds (HBs), halogen-bonding interactions (XBs) and chalcogen-bonding interactions (YBs). The correlation coefficient R2 is also given.

IUCrJ
Volume 5| Part 5| September 2018| Pages 635-646
ISSN: 2052-2525