Silver Nanoparticle Structure Set
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https://researchdata.edu.au/silver-nanoparticle-structure-set/815702
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资源简介：
This is a set of 428 silver nanoparticle INITIAL CONFIGURATIONS, for use in computational studies. These structures have not been optimized or relaxed. Sizes range from 13 Ag atoms to 2947 Ag atoms, with all surfaces remaining clean and unpassivated. All files are in XYZ format, and the naming convention is Ag[number of atoms]-[shape identifier].xyz . A spreadsheet is provided in the supporting documents with shape identifiers geometric shape, aspect ratio, average Ag-Ag coordination number, number of Ag-Ag bonds, number of Ag-Ag-Ag angles, and spherically averaged hydrostatic diameter. Assignment of specific shapes can be ambiguous, particularity for small structures, and so the "best fit" shape has been provided.
提供机构：
Commonwealth Scientific and Industrial Research Organisation
