Platinum acetate blue: the DFT optimized geometries
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https://figshare.com/articles/dataset/Platinum_acetate_blue_the_DFT_optimized_geometries/977867
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Supporting information for the article http://pubs.acs.org/doi/abs/10.1021/ic500940a.
The geometries were optimized with the hybrid M06 functional and the def2-SVP basis set using GAMESS-US program. The basis set was obtained from the EMSL Basis Set Library (https://bse.pnl.gov/bse/portal).
创建时间：
2014-03-31
