Enhancing hydrogen positions in X-ray structures of transition metal hydride complexes with dynamic quantum crystallography - cif files
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The aim of the manuscript is verification how different approaches of X-ray data refinement (HAR, HAR+ADPs from NoMoRe) influence on final obtained structural model. Final models and refinements details are rutinely storead as Crystallographic Information Files - cif files. Cif for different models tested in manuscript:Enhancing hydrogen positions in X-ray structures of transition metal hydride complexes with dynamic quantum crystallography. IUCrJ. 2024 Jan 1;11(Pt 1):45-56are stored here. Cif files can be opened by any text editor and/or by any version of crystallographic software, e.g. Mercury, Vesta.
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Dane Badawcze UW创建时间:
2024-08-17



