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. 2021 Apr 27;54(Pt 3):1006–1011. doi: 10.1107/S1600576721002910

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© Peter R. Spackman et al. 2021

This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.

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An ensemble of HSs for the saccharin molecule (CSD refcode SCCHRN02; Wardell, Low & Glidewell, 2005 ▸) decorated with different properties available in CrystalExplorer. Quantum-mechanical properties were calculated using B3LYP/6-31G(d,p) wavefunctions.