CaF2(H2O)2 minima optimized at HF and MP2 levels
收藏Figshare2019-02-13 更新2026-04-29 收录
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https://figshare.com/articles/dataset/CaF2_H2O_2_minima_optimized_at_HF_and_MP2_levels/7073183
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资源简介：
Minima obtained at the HF/6-31G* and MP2/6-311++G** levels of theory for CaF2(H2O)2. Electronic energy and ZPE included in each file.
创建时间：
2019-02-13
