Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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)-COOHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--348.23227182; 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 Pd(111)-HDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--325.60850025; 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
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-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-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 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 641-650 of 673 (Search time: 0.002 seconds).