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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Jun-2021/redCO2 Pd(111)-In-surf-COOH-top-Pd-2InDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--348.26354612; eV
thumbnail.jpeg6-Jun-2021/redCO2 Pd(111)-In-surf-H-fcc-3Pd-2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--325.61418725; eV
thumbnail.jpeg6-Jun-2021/redCO2 Pd(111)-In-surf-COOH-top-Pd-adjInDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--348.25858650; eV
thumbnail.jpeg6-Jun-2021/redCO2 Pd(111)-In-surf-H-fcc-3Pd-fix-surfDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--325.59330762; eV
thumbnail.jpeg6-Jun-2021/redCO2 Pd(111)-In-surf-CO-hcp-2Pd1InDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--338.56142421; eV
thumbnail.jpeg6-Jun-2021/surfaces InPd2(010)Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--218.72843205; eV
thumbnail.jpeg6-Jun-2021/surfaces In(111)Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--55.39222471; 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 InPd3(110)-In-tDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--449.99090405; eV
thumbnail.jpeg6-Jun-2021/surfaces Pd(111)-2In-NSADattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--314.75633117; eV
Results 71-80 of 102 (Search time: 0.001 seconds).