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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-May-20204R-red-COOH-site-1Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyGeometry optimizationDFT--1868.71220260; eV
thumbnail.jpeg5-May-20204R-red-CO₂-site-1Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyGeometry optimizationDFT--1864.36623044; eV
thumbnail.jpeg5-May-20204R-red-CO₂-site-3Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyGeometry optimizationDFT--1863.80458446; eV
thumbnail.jpeg5-May-20204R-red-CO₂-site-5Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyGeometry optimizationDFT--1864.04326888; eV
thumbnail.jpeg5-May-20204R-red-CO₂-site-6Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyGeometry optimizationDFT--1863.80526962; eV
thumbnail.jpeg5-May-2020XPS-6L-red-O-1s-411Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle pointDFT--1932.30693021; eV
thumbnail.jpeg5-May-2020XPS-6L-red-O-1s-412Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle pointDFT--1931.12816277; eV
thumbnail.jpeg5-May-2020XPS-6L-red-O-1s-413Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle pointDFT--1931.65459299; eV
thumbnail.jpeg5-May-2020XPS-SY-red-O-1s-353Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle pointDFT--1575.10613436; eV
thumbnail.jpeg5-May-2020XPS-SY-red-O-1s-357Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle pointDFT--1575.86609160; eV
Results 1-10 of 696 (Search time: 0.002 seconds).