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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Feb-2021/CO-frequencies frq-Cu(100)-c5sqrt2xsqrt2-6CO-2T4B-60MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--701.53719511; eV
thumbnail.jpeg3-Feb-2021/CO-frequencies frq-Cu(100)-2x2-CO-B-25MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--286.23324983; eV
thumbnail.jpeg3-Feb-2021/CO-frequencies frq-Cu(100)-c5sqrt2xsqrt2-6CO-T-60MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--701.34649603; eV
thumbnail.jpeg3-Feb-2021/CO-frequencies frq-Cu(100)-2x2-CO-cB-50MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--349.09082125; eV
thumbnail.jpeg3-Feb-2021/CO-frequencies frq-Cu(100)-2x2-CO-cT-50MLDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--348.88731710; 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 11-20 of 36 (Search time: 0.002 seconds).