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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required30-Jan-2017/U@C74/U@C74_opt U@C74_1_tripletRoser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-23.93615062; Eh
Login required30-Jan-2017/U@C82/U@C82_opt U@C82_9_B_tripletRoser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-26.54272213; Eh
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 required18-Nov-2022/U2@C78/U2@C78_O1 U2@C78_O1Rosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-31.92530994; Eh
Login required18-Nov-2022/U2@C78/U2@C78_O2 U2@C78_O2Rosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-31.90477133; Eh
Login required18-Nov-2022/U2@C104 U2@C104Rosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-42.37214825; Eh
Login required18-Nov-2022/U2@C50/U2@C50(263) U2@C50(263)Rosello, YannickADF; 2017Geometry optimizationPBETZP-16.71198125; Eh
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