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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg14-May-2019/1-2 CF-U2-tripletMoreno Vicente, AntonioADF; 2017Geometry optimizationDFTTZP-43.88471036; Eh
thumbnail.jpeg14-May-2019/1-4 CF-U2-nonetMoreno Vicente, AntonioADF; 2017Geometry optimizationDFTTZP-43.78683556; Eh
thumbnail.jpeg14-May-2019/1-2 CF-U2-nonetMoreno Vicente, AntonioADF; 2017Geometry optimizationDFTTZP-43.88017463; Eh
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 required2-Aug-2019u2c78_1Roser, MoralesADF; 2017Geometry optimizationBLYPTZP-61.43003020; Eh
Login required21-Jul-2020/U2N_complex/U2N_neutral U2N_neutralRosello, YannickADF; 2019; 302Geometry optimizationPBE0 == Not Default ==TZP-50.32921776; Eh
Results 171-180 of 205 (Search time: 0.001 seconds).