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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-Apr-2016/Chapter_3/PBE0 Fe(phen)3_2+_LS_COSMO_PBE0Saureu, SergiTURBOMOLE; 6.3Geometry optimizationDFTdef2-TZVP-2976.836700804; Eh
thumbnail.jpeg5-Apr-2016/Chapter_3/PBE0 Fe(phen)3_2+_LS_PBE0Saureu, SergiTURBOMOLE; 6.3Geometry optimizationDFTdef2-TZVP-2976.643415998; Eh
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