DFT dataset with descriptors utilized in training
收藏Figshare2024-11-11 更新2026-04-28 收录
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https://figshare.com/articles/dataset/DFT_dataset_with_descriptors_utilized_in_training/27645831
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资源简介：
The DFT dataset utilized as training set contains 623 energy barrier data for C-H dissociation. A comprehensive sampling in transition metals is conducted and several metals’ surfaces are selected as the substrates.
创建时间：
2024-11-11
