DFT dataset with descriptors utilized in training
收藏DataCite Commons2025-06-01 更新2025-01-06 收录
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https://figshare.com/articles/dataset/DFT_dataset_with_descriptors_utilized_in_training/27645831/1
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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.
提供机构：
figshare
创建时间：
2024-11-11
