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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required21-Dec-2020Lu_0Wang, FeiADF; 2016Geometry optimizationOPBETZP-45.58543593; Eh
Login required2-Jul-2021/U@C84 U@Cs(15)-C84Rosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-33.79051773; Eh
Login required23-Jan-2023/ScY@C3v(8)-C82 ScY@C3v(8)-C82Rosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-32.87444552; Eh
Login required23-Jan-2023/Y2@C3v(8)-C82 Y2@C3v(8)-C82Rosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-32.87140153; 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@C82 U@Cs(6)-C82Rosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-32.97563535; 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@C86 U@C1(12)-C86Rosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-34.59170559; Eh
thumbnail.jpeg18-Jul-2021Intermediate_666_2a_Moreno Vicente, AntonioADF; 2018Geometry optimizationPBETZP-32.54454497; Eh
Results 141-150 of 186 (Search time: 0.0 seconds).