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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(100)-6x6-CO3-E-n02Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--534.13853796; eV
thumbnail.jpeg15-Feb-2022/intermediates-electric-field Cu(100)-6x6-OH-E-n01Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--514.75516010; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(100)-6x6-CuHCO3-E-p02Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--565.27762192; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(100)-6x6-CuHCO3-E-p03Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--565.61492933; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(711)-1x6-CO3-E-n01Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--368.22117370; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(100)-6x6-CO3-E-n01Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--534.03872664; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(100)-6x6-2CuCO3-1-E-n03Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--604.39620511; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(111)-6x6-Clean-E-n01Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--514.51889922; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(111)-6x6-O-E-p01Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--521.07404460; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(111)-6x6-H-E-00Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--518.09207488; eV
Results 641-650 of 693 (Search time: 0.002 seconds).