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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required21-Dec-2020Lu_1_5Wang, FeiADF; 2016Geometry optimizationOPBETZP-46.17942038; Eh
Login required21-Dec-2020La_1_5Wang, FeiADF; 2016Geometry optimizationOPBETZP-46.24383160; Eh
Login required2-Jul-2021/U@C86 U@C2(14)-C86Rosello, YannickADF; 2019; 304Geometry optimizationPBE0 == Not Default ==TZP-34.59187326; Eh
Login required21-Dec-2020Lu_0Wang, FeiADF; 2016Geometry optimizationOPBETZP-45.58543593; Eh
Login required21-Dec-2020Gd_1_5Wang, FeiADF; 2016Geometry optimizationOPBETZP-46.58764772; 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@C84 U@Cs(15)-C84Rosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-33.79051773; Eh
Login required2-Jul-2021/U@C84 U@C2(8)-C84Rosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-33.79012120; Eh
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@C82 U@Cs(6)-C82Rosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-32.97563535; Eh
Results 191-200 of 205 (Search time: 0.0 seconds).