IHAT Surface Modelling
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https://archive.researchdata.leeds.ac.uk/1243/
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资源简介：
These data are the .cif files for the fully optimized structures of adipate and tartrate adsorptions on ferrihydrite surfaces. The ‘wet’ surfaces have an explicit layer of water, and the ‘dry’ surfaces are without water. Prot, SemiProt and Unprot denote the protonation state of the ligand (i.e. fully protonated, semi-protonated or completely deprotonated).
提供机构：
University of Leeds
创建时间：
2024-02-21
