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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-May-2020XPS-4R-ox-O-1s-496Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle pointDFT--2053.05350607; eV
thumbnail.jpeg5-May-20206L-red-finalDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyGeometry optimizationDFT--1795.27939910; eV
thumbnail.jpeg5-May-2020Odes-CuₘOₙ-site-17Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyGeometry optimizationDFT--1944.04066419; eV
thumbnail.jpeg5-May-2020pourbaix-Cu⁰Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--21.35951243; eV
thumbnail.jpeg5-May-2020Odes-CuₘOₙ₋₁-site-11-sol-offDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complexGeometry optimizationDFT--1909.06991893; eV
thumbnail.jpeg5-May-2020Odes-CuₘOₙ-site-16-sol-onDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complexGeometry optimizationDFT--1904.52796765; eV
thumbnail.jpeg5-May-2020XPS-SY-red-Cu-2p-321Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle pointDFT--1723.95817188; eV
thumbnail.jpeg5-May-2020XPS-4R-ox-Cu-2p-397Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle pointDFT--2201.49291117; eV
thumbnail.jpeg5-May-2020pourbaix-6L-redDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyGeometry optimizationDFT--1795.27939910; eV
thumbnail.jpeg5-May-2020XPS-6L-ox-O-1s-497Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle pointDFT--2040.31601964; eV
Results 51-60 of 2648 (Search time: 0.161 seconds).