Suporting Information
收藏DataCite Commons2026-03-11 更新2026-03-28 收录
下载链接：
https://aip.figshare.com/articles/dataset/Suporting_Information/31424534
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资源简介：
Supporting Information containing ligand binding geometries and surface coverages, optimized structures of ligand-functionalized (CdSe)₃₃ nanoclusters, Cartesian coordinates, orbital-projected density of states (DOS/PDOS), coverage-dependent electronic structure analysis, numerical stability and charge conservation tests for the real-time TDDFT propagation, and linear-response TDDFT excitation data.
提供机构：
AIP Publishing
创建时间：
2026-02-26
