Aspherical Atom Refinements on X-ray Data of Diverse Structures Including Disordered and Covalent Organic Framework Systems: a Time-Accuracy Trade-off
JOURNAL OF APPLIED CRYSTALLOGRAPHY(2023)
关键词
quantum crystallography,aspherical atom refinement,transferable aspherical atom model,TAAM,MATTS,Hirshfeld atom refinement,HAR,NoSpherA2,disorder,structure refinement
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