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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-Jan-2022/benchmark-C4-hydrocarbons Ni(100)-3x3-Clean-PBEDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--368.75094723; eV
thumbnail.jpeg19-Jan-2022/benchmark-C4-hydrocarbons Ni(100)-3x3-Clean-BEEFDattila, Federicovasp; 5.3.5; 31Mar14 (build May 05 2016 10:50:16) complexGeometry optimizationDFT--289.90212216; eV
thumbnail.jpeg19-Jan-2022/benchmark-CO-adsorption 1O-doped-Ni(100)-3x3-PBE-CO-bridgeDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--391.37382968; eV
thumbnail.jpeg18-Oct-2020Cu(100)-E-007Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--47.56094548; eV
thumbnail.jpeg18-Oct-2020Cu(100)-E-011Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--47.56420173; eV
thumbnail.jpeg18-Oct-2020Cu(100)-E-014Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--47.56757649; eV
thumbnail.jpeg18-Oct-2020Cu(100)-E-013Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--47.56636910; eV
thumbnail.jpeg18-Oct-2020Cu(100)-E-012Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--47.56524338; eV
thumbnail.jpeg18-Oct-2020Cu(111)-E-011Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--47.80979983; eV
thumbnail.jpeg18-Oct-2020Cu(111)-E-009Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--47.80798671; eV
Results 2641-2650 of 5325 (Search time: 0.003 seconds).