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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required30-Jan-2017/U@C82/U@C82_opt U@C82_9_B_quintetRoser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-26.54172949; Eh
Login required30-Jan-2017/U@C82/U@C82_opt U@C82_5_A_quintetRoser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-26.52517243; Eh
Login required30-Jan-2017/U@C82/U@C82_opt U@C82_5_A_tripletRoser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-26.53972430; Eh
Login required18-Nov-2022/U2@C60/U2@C60_O2/U2@C60-1singlet U2@C60-1singletRosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-24.64089585; Eh
Login required2-Jul-2021/U@C86 U@Cs(16)-C86Rosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-34.58303426; Eh
Login required2-Jul-2021/U@C86 U@C2(17)-C86Rosello, YannickADF; 2019; 304Geometry optimizationPBE0 == Not Default ==TZP-34.59123181; Eh
Login required2-Jul-2021/U@C86 U@C2(14)-C86Rosello, YannickADF; 2019; 304Geometry optimizationPBE0 == Not Default ==TZP-34.59187326; Eh
Login required2-Jul-2021/U@C84 U@Cs(15)-C84Rosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-33.79051773; Eh
Login required23-Jan-2023/ScY@C3v(8)-C82 ScY@C3v(8)-C82Rosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-32.87444552; Eh
Login required23-Jan-2023/Y2@C3v(8)-C82 Y2@C3v(8)-C82Rosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-32.87140153; Eh
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