Ligand Many-Body Expansion as a General Approach for Accelerating Transition Metal Complex Discovery
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下载链接：
https://zenodo.org/record/13338062
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资源简介：
Dataset of transition metal complex structures in .xyz file format, computed and predicted energies in comma delimited format, model information in JSON format, and the Mathematica script for uncertainty analysis for associated manuscript.
创建时间：
2024-09-11
