DFT dataset for"Deciphering Cation-Stabilized *NO2 at the Molecular Level in Electrocatalytic Nitrate Reduction "
收藏官方服务:
资源简介:
DFT-optimized structures in the energy diagram, and the full MD trajectories
提供机构:
Zenodo创建时间:
2025-10-10

DFT-optimized structures in the energy diagram, and the full MD trajectories