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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-Sep-2018/2_electrons/Tafel_mechanism/Mo2O2S8H2 TSBandeira, NunoADF; 2017TSDFTTZ2P-3.12966423; Eh
thumbnail.jpeg19-Sep-2018/2_electrons/Heyrovsky_best_candidate H2_releasedBandeira, NunoADF; 2017Geometry optimizationDFTTZP-3.92616367; Eh
thumbnail.jpeg19-Sep-2018/2_electrons/Heyrovsky_best_candidate TSBandeira, NunoADF; 2017TSDFTTZP-3.89941155; Eh
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