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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-May-2020Odes-CuₘOₙ-site-2-sol-offDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complexGeometry optimizationDFT--1807.72347305; eV
thumbnail.jpeg5-May-2020Odes-CuₘOₙ-site-19-sol-offDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complexGeometry optimizationDFT--1438.80905840; eV
thumbnail.jpeg5-May-20204R-ox-initialDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyGeometry optimizationDFT--1904.64481736; eV
thumbnail.jpeg5-May-2020pourbaix-4T-red-sol-onDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complexGeometry optimizationDFT--1809.93923220; eV
thumbnail.jpeg5-May-2020XPS-4R-red-Cu-2p-261Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle pointDFT--2092.97842934; eV
thumbnail.jpeg5-May-2020XPS-4T-red-O-1s-411Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle pointDFT--1943.26510707; eV
thumbnail.jpeg5-May-2020XPS-4R-red-O-1s-412Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle pointDFT--1944.25591647; eV
thumbnail.jpeg5-May-2020XPS-6L-ox-O-1s-489Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle pointDFT--2040.15001873; eV
thumbnail.jpeg5-May-2020Odes-CuₘOₙ-site-12Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyGeometry optimizationDFT--1957.35885801; eV
thumbnail.jpeg5-May-2020Odes-CuₘOₙ-site-3Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyGeometry optimizationDFT--1841.87077807; eV
Results 1-10 of 732 (Search time: 0.0 seconds).