Catalyst DFT geometry xyz files
收藏DataCite Commons2025-06-01 更新2024-08-18 收录
下载链接：
https://figshare.com/articles/dataset/Catalyst_DFT_geometry_xyz_files/22123211/1
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资源简介：
XYZ files for all DFT optimized geometries in oxygen reduction reaction catalytic cycle in the paper titled <strong>Exploring Scaling Relations and Active Site Specificity of Graphite-Conjugated Catalysts Using Density Functional Theory</strong>
提供机构：
figshare
创建时间：
2023-02-19
