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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Feb-2021Cu(100)-3sqrt2x3sqrt2-CObCOb-1Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--352.12617866; eV
thumbnail.jpeg2-Feb-2021Cu(100)-3sqrt2x3sqrt2-COtCOt-3Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--351.96070415; eV
thumbnail.jpeg2-Feb-2021Cu(100)-3sqrt2x3sqrt2-COtCOt-2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--352.01555108; eV
thumbnail.jpeg2-Feb-2021Cu(100)-3sqrt2x3sqrt2-COtCOt-1Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--351.96048493; eV
thumbnail.jpeg2-Feb-2021Cu(100)-3sqrt2x3sqrt2-OCCODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--351.20217034; 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)-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)-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)-4x2-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--111.93045494; eV
Results 11-20 of 952 (Search time: 0.001 seconds).