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Figure 3
Attractive water–water contacts in the CSD structures. (a) Plot of the distance dOH versus angle α. The colours correspond to CCSD(T)/CBS interaction energies, as shown in the scale. Graphical representations and CCSD(T)/CBS interaction energies of some examples of water–water interactions from the CSD, with (b) classical hydrogen bonds and (c) antiparallel interactions.

IUCrJ
Volume 9| Part 5| September 2022| Pages 639-647
ISSN: 2052-2525
https://doi.org/10.1107/S2052252522006728