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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Jan-2021/C-C-coupling Cu(100)-3sqrt2x3sqrt2-CleanDattila, Federicovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationDFT--320.44132838; eV
thumbnail.jpeg17-May-2021/CO-frequencies Cu(100)-H2O-hollow-06MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--334.88633942; eV
thumbnail.jpeg17-May-2021/CO-frequencies Cu(100)-H2O-bridge-06MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--334.78470623; eV
thumbnail.jpeg17-May-2021/CO-frequencies Cu(100)-OH-bridge-06MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--331.39232085; eV
thumbnail.jpeg17-May-2021/CO-frequencies Cu(100)-H-hollow-100MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--21.28639069; eV
thumbnail.jpeg17-May-2021/CO-frequencies Cu(100)-H-top-06MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--323.48616674; eV
thumbnail.jpeg17-May-2021/CO-frequencies Cu(100)-H-top-100MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--20.55140143; eV
thumbnail.jpeg17-May-2021/CO-frequencies Cu(100)-carbonate-monodentate-06MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--348.55420568; eV
thumbnail.jpeg17-May-2021/CO-frequencies Cu(100)-carbonate-bidentate-06MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--350.93523992; eV
thumbnail.jpeg17-May-2021/CO-frequencies Cu(100)-bicarbonate-monodentate-06MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--354.13247509; eV
Results 1-10 of 221 (Search time: 0.001 seconds).