Browsing by Subject ADF

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Showing results 1 to 3 of 3
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required23-Jan-2023/Sc2@C3v(8)-C82 Sc2@C3v(8)-C82Rosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-32.86552547; 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