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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Feb-2021/CO-frequencies Cu(100)-3x3-CO-B-11MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--141.70560177; eV
thumbnail.jpeg3-Feb-2021/CO-frequencies Cu(100)-3x3-CO-T-11MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--141.67055086; eV
thumbnail.jpeg3-Feb-2021/CO-frequencies Cu(100)-c5sqrt2xsqrt2-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--139.92965526; eV
thumbnail.jpeg3-Feb-2021/CO-frequencies Cu(100)-3sqrt2xsqrt2-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--83.94694661; eV
thumbnail.jpeg3-Feb-2021/CO-frequencies Cu(100)-2sqrt2xsqrt2-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--55.88548555; eV
thumbnail.jpeg3-Feb-2021/CO-frequencies Cu(100)-4x2-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--111.93045494; eV
thumbnail.jpeg3-Feb-2021/CO-frequencies Cu(100)-5x2-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--139.73893879; eV
thumbnail.jpeg3-Feb-2021/CO-frequencies Cu(100)-3x3-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--125.91867244; eV
thumbnail.jpeg3-Feb-2021/CO-frequencies Cu(100)-2x2-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--55.96563662; eV
thumbnail.jpeg3-Feb-2021/CO-frequencies Cu(100)-3sqrt2xsqrt2-4CO-2T2B-67MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--146.71464708; eV
Results 1-10 of 37 (Search time: 0.001 seconds).