A Multi-Surface DFT Reaction Energy Dataset for Transition Metal Catalysts: Statistical Characterization, Descriptor Analysis, and Machine Learning Benchmarking

Mendeley Data2026-07-02 收录

催化反应能量预测

过渡金属催化剂筛选

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资源简介：

A Multi-Surface DFT Reaction Energy Dataset for Transition Metal Catalysts: Statistical Characterization, Descriptor Analysis, and Machine Learning Benchmarking

创建时间：

2026-05-26

A Multi-Surface DFT Reaction Energy Dataset for Transition Metal Catalysts: Statistical Characterization, Descriptor Analysis, and Machine Learning Benchmarking

资源简介：

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