Catalyst DFT geometry xyz files
收藏NIAID Data Ecosystem2026-03-14 收录
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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 Exploring Scaling Relations and Active Site Specificity of Graphite-Conjugated Catalysts Using Density Functional Theory
创建时间：
2023-02-19
