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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Feb-2021/CO-frequencies frq-Cu(100)-5x2-8CO-6T2B-80MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--264.40851360; eV
thumbnail.jpeg3-Feb-2021/CO-frequencies frq-Cu(100)-5x2-8CO-2T6B-80MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--264.32591214; eV
thumbnail.jpeg3-Feb-2021/CO-frequencies frq-Cu(100)-4x2-6CO-2T4B-75MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--205.51430979; eV
thumbnail.jpeg3-Feb-2021/CO-frequencies frq-Cu(100)-4x2-6CO-4T2B-75MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--205.52273320; eV
thumbnail.jpeg3-Feb-2021/CO-frequencies frq-Cu(100)-5x2-8CO-4T4B-80MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--264.34145869; 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 1-10 of 37 (Search time: 0.002 seconds).