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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Jun-2021/redCO2 InPd(110)-HDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--148.50123907; eV
thumbnail.jpeg6-Jun-2021/redCO2 In(001)-COOHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--139.54776688; eV
thumbnail.jpeg6-Jun-2021/redCO2 In(001)-CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--128.50596859; eV
thumbnail.jpeg6-Jun-2021/redCO2 Pd(111)-In-surf-COOH-top-Pd-adjIn-O-top-InDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--348.26106661; eV
thumbnail.jpeg6-Jun-2021/redCO2 Pd(111)-In-surf-COOH-top-InDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--346.92956023; eV
thumbnail.jpeg6-Jun-2021/redCO2 Pd(111)-In-surf-H-hcp-2Pd1InDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--325.62097878; eV
thumbnail.jpeg6-Jun-2021/redCO2 Pd(111)-In-surf-H-fcc-3Pd-1Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--325.62638236; eV
thumbnail.jpeg6-Jun-2021/redCO2 Pd(111)-In-surf-CO-fcc-3Pd-fixed-surfaceDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--338.53386950; 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 Pd(111)-In-surf-H-fcc-2Pd1In-fix-surfDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--324.77322456; eV
Results 21-30 of 102 (Search time: 0.001 seconds).