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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg/cobaltocenium singl_BP86Mariusz, RadonTURBOMOLE; 7.0.1DFTdef2-TZVP-1770.098227621; Eh
thumbnail.jpeg/cobaltocenium singl_PBE0Mariusz, RadonTURBOMOLE; 7.0.1DFTdef2-TZVP-1769.111323142; Eh
thumbnail.jpeg/cobaltocenium singl_BP86_waterMariusz, RadonTURBOMOLE; 7.0.1DFTdef2-TZVP-1770.175947587; Eh
thumbnail.jpeg/ruthenocene singl_BP86Mariusz, RadonTURBOMOLE; 7.0.1DFTdef2-TZVP-482.3317965291; Eh
thumbnail.jpeg/ruthenocene singl_PBE0Mariusz, RadonTURBOMOLE; 7.0.1DFTdef2-TZVP-481.7218774122; Eh
thumbnail.jpeg/ruthenocene singl_BP86_heptaneMariusz, RadonTURBOMOLE; 7.0.1DFTdef2-TZVP-482.3344498441; Eh
thumbnail.jpeg/ruthenocene singl_BP86_ethanolMariusz, RadonTURBOMOLE; 7.0.1DFTdef2-TZVP-482.3387875024; Eh
thumbnail.jpeg/ferrocene singl_BP86Mariusz, RadonTURBOMOLE; 7.0.1DFTdef2-TZVP-1651.234137300; Eh
thumbnail.jpeg/ferrocene singl_BP86_stgMariusz, RadonTURBOMOLE; 7.0.1DFTdef2-TZVP-1651.232804062; Eh
thumbnail.jpeg/ferrocene singl_PBE0Mariusz, RadonTURBOMOLE; 7.0.1DFTdef2-TZVP-1650.275231514; Eh
thumbnail.jpeg/ferrocene singl_PBE0_stgMariusz, RadonTURBOMOLE; 7.0.1DFTdef2-TZVP-1650.274226893; Eh
thumbnail.jpeg/ferrocene singl_BP86-D3Mariusz, RadonTURBOMOLE; 7.0.1DFTdef2-TZVP-1651.260138103; Eh
thumbnail.jpeg/ferrocene singl_PBE0-D3Mariusz, RadonTURBOMOLE; 7.0.1DFTdef2-TZVP-1650.288851587; Eh
thumbnail.jpeg/ferrocene singl_B3LYPMariusz, RadonTURBOMOLE; 7.0.1DFTdef2-TZVP-1650.628913380; Eh
thumbnail.jpeg/ferrocene singl_B3LYP-D3Mariusz, RadonTURBOMOLE; 7.0.1DFTdef2-TZVP-1650.651137303; Eh
thumbnail.jpeg/ferrocene singl_TPSSMariusz, RadonTURBOMOLE; 7.0.1DFTdef2-TZVP-1651.139645538; Eh
thumbnail.jpeg/ferrocene singl_TPSS-D3Mariusz, RadonTURBOMOLE; 7.0.1DFTdef2-TZVP-1651.158387986; Eh
thumbnail.jpeg/ferrocene singl_TPSShMariusz, RadonTURBOMOLE; 7.0.1DFTdef2-TZVP-1651.054367959; Eh
thumbnail.jpeg/ferrocene singl_TPSSh-D3Mariusz, RadonTURBOMOLE; 7.0.1DFTdef2-TZVP-1651.072703384; Eh
thumbnail.jpeg/ferrocene singl_BP86_ethanolMariusz, RadonTURBOMOLE; 7.0.1DFTdef2-TZVP-1651.240383613; Eh
thumbnail.jpeg/w_cn4_o_oh PBE0_SMariusz, RadonTURBOMOLE; 7.4.1DFTdef2-TZVP-589.7368265693; Eh
thumbnail.jpeg/w_cn4_o_oh2 PBE0_SMariusz, RadonTURBOMOLE; 7.4.1DFTdef2-TZVP-590.2031128497; Eh
thumbnail.jpeg/zinc_site zn_nch5_oh2Mariusz, RadonTURBOMOLE; 7.4.1DFTdef2-TZVP-2322.096121338; Eh
thumbnail.jpeg/zinc_site zn_nch5_ohMariusz, RadonTURBOMOLE; 7.4.1DFTdef2-TZVP-2321.629071424; Eh
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