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Models of thermal motion in small-molecule crystallography

Anna Hoser1, Anders Ø Madsen2

  • 1Faculty of Chemistry, University of Warsaw, Pasteura 1, Warsaw 02-093, Poland.

Iucrj
|June 6, 2025
PubMed
Abstract

Keywords:
Debye–Waller factoranisotropic displacement parameterscharge, spin and momentum densitiescomputational modellingdynamical simulationslattice dynamicsmolecular crystalsnormal-mode refinementpharmaceutical solidsthermal motion

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