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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-May-2020XPS-SY-red-Cu-2p-289Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle pointDFT--1723.93092935; eV
thumbnail.jpeg5-May-2020XPS-4R-red-Cu-2p-244Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle pointDFT--2092.73168870; eV
thumbnail.jpeg15-Aug-2020/Vibrational-modes freq-CO3-8Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyFrequenciesDFT--1851.94532391; eV
thumbnail.jpeg5-May-20204T-red-OCCO-site-3Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyGeometry optimizationDFT--1871.49421361; 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
thumbnail.jpeg5-May-2020XPS-4T-red-O-1s-413Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle pointDFT--1943.59928229; eV
thumbnail.jpeg5-May-2020XPS-4R-ox-O-1s-480Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle pointDFT--2053.04074468; eV
thumbnail.jpeg5-May-2020XPS-4R-ox-Cu-2p-387Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle pointDFT--2201.66869880; eV
thumbnail.jpeg5-May-2020XPS-6L-red-O-1s-Cu₂ODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle pointDFT--1930.71517505; eV
thumbnail.jpeg5-May-20204T-red-CO3-site-5Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyGeometry optimizationDFT--1864.57813486; eV
Results 21-30 of 733 (Search time: 0.001 seconds).