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Figure 2
Test systems, structures refined with THAM bank build at the B3LYP/cc-pVTZ level of theory: (a) carbamazepine, (b) Gly-L-Ala, (c) NAC·H2O (N-acetyl-L-4-hy­droxy­proline monohydrate), (d) urea and (e) xylitol.

IUCrJ
Volume 11| Part 2| March 2024| Pages 249-259
ISSN: 2052-2525
https://doi.org/10.1107/S2052252524001507