Extended QM8 dataset
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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

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).