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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-May-2020XPS-4R-red-O-1s-409Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle pointDFT--1944.18111508; eV
thumbnail.jpeg5-May-2020XPS-4T-red-Cu-2p-254Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle pointDFT--2092.51132651; eV
thumbnail.jpeg5-May-2020XPS-4T-ox-Cu-2p-393Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle pointDFT--2203.66053288; eV
thumbnail.jpeg5-May-2020U-Cu₂O-PBE-11-e⁻Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--27.20202715; eV
thumbnail.jpeg5-May-2020XPS-6L-red-O-1s-410Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle pointDFT--1931.60070896; eV
thumbnail.jpeg5-May-2020Odes-CuₘOₙ₋₁-site-3-sol-offDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complexGeometry optimizationDFT--1800.25663465; eV
thumbnail.jpeg5-May-20204T-red-H-site-8Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyGeometry optimizationDFT--1844.12952521; eV
thumbnail.jpeg5-May-2020XPS-6L-red-O-1s-414Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle pointDFT--1932.51749110; eV
thumbnail.jpeg5-May-2020XPS-4R-ox-O-1s-490Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle pointDFT--2053.33842559; eV
thumbnail.jpeg5-May-2020Odes-CuₘOₙ-site-20-sol-offDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complexGeometry optimizationDFT--1438.80905840; eV
Results 81-90 of 2679 (Search time: 0.002 seconds).