Extended QM8 dataset
收藏Figshare2023-11-09 更新2026-04-28 收录
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https://figshare.com/articles/dataset/Extended_QM8_dataset/24534541
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资源简介：
Extended-QM8 contains the excited states data: the energies and oscillator strenghts of the first 5 singlet excited states obtained at ADC(2) and TD-DFT with 38 functionals (def2-TZVP basis set).
创建时间：
2023-11-09
