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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-May-2020XPS-4R-red-O-1s-413Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle pointDFT--1944.38051999; eV
thumbnail.jpeg5-May-2020Odes-freq-site-3Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyFrequenciesDFT--1841.87115533; eV
thumbnail.jpeg5-May-2020XPS-4T-ox-O-1s-459Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle pointDFT--2055.00772315; eV
thumbnail.jpeg5-May-2020XPS-4R-ox-O-1s-473Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle pointDFT--2052.98373003; eV
thumbnail.jpeg5-May-20204R-red-CO3-site-1Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyGeometry optimizationDFT--1865.62451305; eV
thumbnail.jpeg5-May-2020XPS-4R-ox-O-1s-487Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle pointDFT--2053.02052638; eV
thumbnail.jpeg5-May-2020XPS-4T-ox-O-1s-479Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle pointDFT--2054.67216806; eV
thumbnail.jpeg5-May-2020XPS-4R-ox-refDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle pointDFT--1916.51060163; eV
thumbnail.jpeg5-May-20204R-red-(Oₛₛ)OCCO-site-2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyGeometry optimizationDFT--1872.69227085; eV
thumbnail.jpeg5-May-2020Odes-CuₘOₙ-site-14Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyGeometry optimizationDFT--1959.74848962; eV
Results 41-50 of 2648 (Search time: 0.001 seconds).