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Showing 1–2 of 2 results
Advanced filters: Author: Susan M. Reutzel-Edens Clear advanced filters
  • Accuracy of free-energy calculations can be improved by constructing an experimental benchmark for solid–solid free-energy differences, quantifying statistical errors for the computed free energies and placing both hydrate and anhydrate crystal structures on the same energy landscape.

    • Dzmitry Firaha
    • Yifei Michelle Liu
    • Marcus A. Neumann
    ResearchOpen Access
    Nature
    Volume: 623, P: 324-328
  • After years of speculation on the origins of symmetry-making and -breaking during crystallization, time-resolved in situ scanning probe microscopy and all-atom molecular dynamics simulations have shown that the formation of olanzapine crystals largely occurs by the incorporation of centrosymmetric dimers into growth sites.

    • Susan M. Reutzel-Edens
    News & Views
    Nature Chemistry
    Volume: 12, P: 887-888