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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg4-Sep-2020/ferrocene singl_BP86_stgMariusz, RadonTURBOMOLE; 7.0.1Geometry optimization TSDFTdef2-TZVP-1651.232804062; Eh
thumbnail.jpeg1-Jun-2020/zinc_site zn_nch5_ohMariusz, RadonTURBOMOLE; 7.4.1Geometry optimization TSDFTdef2-TZVP-2321.629071424; Eh
thumbnail.jpeg1-Jun-2020/zinc_site zn_nch5_oh2Mariusz, RadonTURBOMOLE; 7.4.1Geometry optimization TSDFTdef2-TZVP-2322.096121338; Eh
thumbnail.jpeg4-Sep-2020/ferrocene singl_PBE0_stgMariusz, RadonTURBOMOLE; 7.0.1Geometry optimization TSDFTdef2-TZVP-1650.274226893; Eh
thumbnail.jpeg1-Jun-2020/w_cn4_o_oh2 PBE0_SMariusz, RadonTURBOMOLE; 7.4.1Geometry optimization TSDFTdef2-TZVP-590.2031128497; Eh
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