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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required21-Jul-2020/U2N_complex/U2N_cation U2N_cationRosello, YannickADF; 2017Geometry optimizationPBE0 == Not Default ==TZP-50.11521345; Eh
Login required17-Jul-2020/U2O U2O_@Ih(7)-C80Rosello, YannickADF; 2017Geometry optimizationPBE0 == Not Default ==TZP-33.20251251; Eh
Login required17-Jul-2020/U2N U2N@Ih(7)-C80Rosello, YannickADF; 2017Geometry optimizationPBE0 == Not Default ==TZP-33.20689102; Eh
Login required21-Jul-2020/U2N_complex/U2N_anion U2N_anionRosello, YannickADF; 2017Geometry optimizationPBE0 == Not Default ==TZP-50.35258961; Eh
Login required17-Jul-2020/U2C U2C@Ih(7)-C80Rosello, YannickADF; 2017Geometry optimizationPBE0 == Not Default ==TZP-33.08700361; Eh
Login required21-Jul-2020/U2N_complex/U2N_neutral U2N_neutralRosello, YannickADF; 2019; 302Geometry optimizationPBE0 == Not Default ==TZP-50.32921776; Eh
Login required2-Jul-2021/U@C86 U@C1(12)-C86Rosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-34.59170559; Eh
Login required2-Jul-2021/U@C86 U@C1(11)-C86Rosello, YannickADF; 2019; 302Geometry optimizationPBE0 == Not Default ==TZP-34.60133512; 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@C84 U@C2(8)-C84Rosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-33.79012120; Eh
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