Donchev et al. DESS66
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下载链接：
https://figshare.com/articles/dataset/Donchev_et_al_DESS66/12692720
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资源简介：
S66 geometries computed in the same style as DES370K, containing interaction energies calculated using CCSD(T), MP2, HF, and SAPT0, as well as dimer geometries, and silver-standard reference values.
创建时间：
2021-01-29
