Output Files for the TMPHOTCAT-137 Dataset
收藏官方服务：
资源简介：
Raw Gaussian16 and ORCA output files for the TMPHOTCAT-137 dataset published in our paper "Selecting the Optimal DFT Functionals for Reproducing the UV-Vis Properties of Transition-Metal Photocatalysts" in Chemistry—Methods.
提供机构：
Zenodo创建时间：
2026-07-13
