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Keywords:

  • crystal engineering;
  • gels;
  • hydrogen bonds;
  • sonication;
  • structure elucidation
Thumbnail image of graphical abstract

Making plans for hydrogels: Calculations successfully predict the molecular structure of a robust hydrogel. Melamine and uric acid cocrystallize with water upon sonication, and using experimental data, the minimized structure (see picture) was calculated and successfully compared with powder X-ray diffraction data of the xerogel.