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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-May-2021/CO-frequencies Cu(100)-H-hollow-06MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--324.08541373; eV
thumbnail.jpeg17-May-2021/CO-frequencies Cu(100)-H-bridge-06MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--323.99047767; 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-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-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 frq-Cu(100)-carbonate-monodentate-06MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--348.55413093; eV
thumbnail.jpeg17-May-2021/CO-frequencies frq-Cu(100)-carbonate-bidentate-06MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--350.93525094; eV
thumbnail.jpeg17-May-2021/CO-frequencies frq-Cu(100)-bicarbonate-bidentate-06MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--354.89203635; eV
thumbnail.jpeg17-May-2021/CO-frequencies frq-Cu(100)-carbonate-bidentate-50MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--98.34928399; eV
thumbnail.jpeg17-May-2021/CO-frequencies frq-Cu(100)-bicarbonate-monodentate-06MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--354.13251401; eV
Results 21-30 of 230 (Search time: 0.001 seconds).