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Figure 5
Distribution of interaction energies of attractive water–water contacts found in the CSD after applying the criteria for classical hydrogen bonds (dOH ≤ 3.0 Å and α ≥ 120°) and antiparallel interactions (β1, β2 ≥ 160°, 80 ≤ α ≤ 140° and THOHO > 40°), calculated at the CCSD(T)/CBS level of theory.

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