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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-COOH-top-Pd-1InDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--348.25279788; 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-CO-fcc-free-zDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--337.56972089; 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/redCO2 Pd(111)-In-surf-CO-fcc-3Pd-2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--338.60356758; 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 InPd2(100)Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--105.91089109; eV
thumbnail.jpeg6-Jun-2021/surfaces Pd(111)Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--315.62875629; eV
thumbnail.jpeg6-Jun-2021/surfaces In(010)Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--58.27137731; eV
Results 31-40 of 102 (Search time: 0.001 seconds).