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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Jun-2021/redCO2 Pd(111)-In-surf-CO-fcc-3Pd-1Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--338.56220931; eV
thumbnail.jpeg6-Jun-2021/redCO2 InPd3(100)-COOHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--337.22330224; eV
thumbnail.jpeg6-Jun-2021/redCO2 InPd3(100)-HDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--315.13824622; eV
thumbnail.jpeg6-Jun-2021/redCO2 Pd(111)-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--321.53060529; eV
thumbnail.jpeg6-Jun-2021/redCO2 InPd3(100)-H-hollowDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--315.44743307; eV
thumbnail.jpeg6-Jun-2021/redCO2 Pd(111)-In-surf-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--321.56069084; eV
thumbnail.jpeg6-Jun-2021/redCO2 Pd(111)-CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--338.58437441; eV
thumbnail.jpeg6-Jun-2021/redCO2 Pd(111)-In-surf-CO-fcc-2Pd1In-fixed-surfaceDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--336.77622114; eV
thumbnail.jpeg6-Jun-2021/redCO2 Pd(111)-In-surf-CO-fcc-2Pd-InDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--338.54342341; eV
thumbnail.jpeg6-Jun-2021/redCO2 InPd(110)-CO-3Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--160.98815801; eV
Results 41-50 of 102 (Search time: 0.001 seconds).