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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Jun-2021/surfaces In(110)Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--77.15887289; eV
thumbnail.jpeg6-Jun-2021/surfaces Pd(110)Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--232.38052325; eV
thumbnail.jpeg6-Jun-2021/surfaces In(100)Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--58.27076742; eV
thumbnail.jpeg6-Jun-2021/redCO2 Pd(111)-In-surf-CO-fcc-2Pd1In-fixedDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--337.53501760; eV
thumbnail.jpeg6-Jun-2021/redCO2 Pd(111)-In-surf-H-fcc-2Pd1In-fixedDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--324.67362748; eV
thumbnail.jpeg6-Jun-2021/redCO2_high-coverage Pd(111)-CO-075MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--519.40672778; eV
thumbnail.jpeg6-Jun-2021/redCO2 InPd(110)-H-hollowDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--147.88433162; eV
thumbnail.jpeg6-Jun-2021/redCO2 InPd(110)-COOH-2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--171.67522151; eV
thumbnail.jpeg6-Jun-2021/redCO2 InPd2(010)-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--229.59830414; eV
thumbnail.jpeg6-Jun-2021/redCO2 InPd(110)-CO-2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--160.98817413; eV
Results 41-50 of 102 (Search time: 0.001 seconds).