Platinum and palladium tetranuclear acetates: DFT optimized geometries
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https://figshare.com/articles/dataset/Platinum_and_palladium_tetranuclear_acetates_the_DFT_optimised_geometries/7938170
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Supporting information for upcoming article.The geometries were optimized with the hybrid PBE0 functional and various basis sets using GAMESS-US program. The basis sets were obtained from the EMSL Basis Set Library (https://bse.pnl.gov/bse/portal).Figure1b shows simplified view of the crystal solvate 5 Pt4(OOCMe)8×13 C6H6.
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2019-04-05
