Browsing by Author Ballester, Pablo

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Showing results 1 to 6 of 6
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-Aug-2025Axial_ISOMERBallester, PabloTURBOMOLE; 7Geometry optimizationDFTdef2-SVP-3862.849983754; Eh
thumbnail.jpeg8-Aug-2025Complex_DABCOBallester, PabloTURBOMOLE; 7Geometry optimizationDFTdef2-SVP-5151.430752756; Eh
thumbnail.jpeg8-Aug-2025Equatorial_ISOMERBallester, PabloTURBOMOLE; 7Geometry optimizationDFTdef2-SVP-3862.836290331; Eh
thumbnail.jpeg8-Aug-2025Quinoxailine-axial_comple-methylene_downBallester, PabloTURBOMOLE; 7Geometry optimizationDFTdef2-SVP-4139.977828341; Eh
thumbnail.jpeg8-Aug-2025Quinoxaline_equatorial_complex-methylene_downBallester, PabloTURBOMOLE; 7Geometry optimizationDFTdef2-SVP-4139.932357706; Eh
thumbnail.jpeg8-Aug-2025TSBallester, PabloTURBOMOLE; 7Geometry optimization TSDFTdef-SV(P)-4139.275243503; Eh