Unrestricted CCSD(T) Dataset For Organic Molecule Reactions
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https://figshare.com/articles/dataset/Unrestricted_CCSD_T_Dataset_For_Organic_Molecule_Reactions/30267877
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资源简介：
Unrestricted CCSD(T) calculations of energies and forces for organic reaction molecules. See the corresponding paper for further details. https://arxiv.org/abs/2509.10872LA-UR-24-32899
创建时间：
2025-10-02
