Optimized microhydrated Ca(II) clusters Ca(H2O)n at the HF/6-31G* level of theory
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https://figshare.com/articles/dataset/Optimized_microhydrated_Ca_II_clusters_Ca_H2O_n_at_the_HF_6-31G_level_of_theory/2072938
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These are the structures of microhydrated Ca(II), optimized at the HF/6-31G* level of theory and explicit water. The clusters have the general formula Ca(H<sub>2</sub>O)<sub>n</sub>, where n = 0 to 14. These results correspond to the previously published paper DOI: 10.1007/s00894-012-1707-6
提供机构：
figshare
创建时间：
2017-08-24
