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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Dec-2023turboVlaisavljevich, BessTURBOMOLE; 7.3Geometry optimization MinimumU-DFTdef-TZVP; def2-TZVP-1026.337958590; Eh
thumbnail.jpeg6-Dec-2023turboVlaisavljevich, BessTURBOMOLE; 7.3Geometry optimization MinimumU-DFTdef-TZVP; def2-TZVP-1261.994295974; Eh
thumbnail.jpeg6-Dec-2023turboVlaisavljevich, BessTURBOMOLE; 7.3Geometry optimization MinimumU-DFTdef-TZVP; def2-TZVP-908.5049108024; Eh
thumbnail.jpeg6-Dec-2023turboVlaisavljevich, BessTURBOMOLE; 7.3Geometry optimization MinimumU-DFTdef-TZVP; def2-TZVP-829.9372861487; Eh
thumbnail.jpeg6-Dec-2023turboVlaisavljevich, BessTURBOMOLE; 7.3Geometry optimization MinimumU-DFTdef-TZVP; def2-TZVP-790.6531251576; Eh
thumbnail.jpeg6-Dec-2023turboVlaisavljevich, BessTURBOMOLE; 7.3Geometry optimization MinimumU-DFTdef-TZVP; def2-TZVP-1026.368465425; Eh
thumbnail.jpeg6-Dec-2023turboVlaisavljevich, BessTURBOMOLE; 7.3Geometry optimization MinimumU-DFTdef-TZVP; def2-TZVP-1026.370911505; Eh
thumbnail.jpeg6-Dec-2023turboVlaisavljevich, BessTURBOMOLE; 7.3Geometry optimization MinimumU-DFTdef-TZVP; def2-TZVP-1144.170200293; Eh
thumbnail.jpeg6-Dec-2023turbo-pbe0Vlaisavljevich, BessTURBOMOLE; 7.3Geometry optimization MinimumU-DFTdef2-TZVP; def-TZVP-1251.199049223; Eh
thumbnail.jpeg6-Dec-2023pbeVlaisavljevich, BessTURBOMOLE; 7.3Geometry optimization MinimumU-DFTdef-TZVP; def2-TZVP-1026.275392230; Eh
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