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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required2-Jul-2021/U@C86 U@C1(5)-C86Rosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-34.59349975; Eh
Login required2-Jul-2021/U@C86 U@C1(12)-C86Rosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-34.59170559; Eh
Login required23-Jan-2023/Sc2@C3v(8)-C82 Sc2@C3v(8)-C82Rosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-32.86552547; 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
Login required18-Nov-2022/U2@C80/U2@C80_O1/U2@C80-5quintuplet U2@C80-5quintupletRosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-32.71715985; Eh
Login required18-Nov-2022/U2@C60/U2@C60_O2/U2@C60-3triplet U2@C60-3tripletRosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-24.63924869; Eh
Login required18-Nov-2022/U2@C80/U2@C80_O2/U2@C80-5quintuplet U2@C80-5quintupletRosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-32.70997676; Eh
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