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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required25-Sep-2018/U@(17418)C76 U@C76_triplet_optRoser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-25.08741306; Eh
Login required6-Feb-2024Th@C3(18)Rosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-34.38307332; Eh
Login required6-Feb-2024Th@C2(14)Rosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-34.38952502; Eh
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