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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-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 InPd2(010)-H-hollow3Pd1In-subDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--233.40506172; eV
thumbnail.jpeg6-Jun-2021/redCO2 Pd(111)-In-surf-H-fcc-free-zDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--325.06849176; eV
thumbnail.jpeg6-Jun-2021/redCO2 InPd2(010)-CO-hollowDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--246.06799011; eV
thumbnail.jpeg6-Jun-2021/redCO2 InPd(110)-COOHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--171.11414017; eV
thumbnail.jpeg6-Jun-2021/redCO2 InPd3(100)-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--311.40258538; eV
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 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-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-2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--325.61418725; eV
Results 1-10 of 102 (Search time: 0.024 seconds).