Catalyst DFT geometry xyz files
收藏Figshare2023-02-19 更新2026-04-28 收录
下载链接：
https://figshare.com/articles/dataset/Catalyst_DFT_geometry_xyz_files/22123211
下载链接
链接失效反馈官方服务：
资源简介：
XYZ files for all DFT optimized geometries in oxygen reduction reaction catalytic cycle in the paper titled Exploring Scaling Relations and Active Site Specificity of Graphite-Conjugated Catalysts Using Density Functional Theory
创建时间：
2023-02-19
