view article

Figure 4
Sets of attractive water–water contacts found in the CSD. In the graphical representations of water–water contacts, one water molecule was positioned in the centre (shown in dark grey). The other water molecules from every water–water contact are shown in the colour representing the CCSD(T)/CBS interaction energies, as shown in the scale.

IUCrJ
Volume 9| Part 5| September 2022| Pages 639-647
ISSN: 2052-2525