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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required7-Mar-20211O-doped-Ni(100)-3x3-C(CH3)2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--424.05837412; eV
Login required7-Mar-2021NiO(100)-3x3-CHCH(CH3)2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--799.87726821; eV
Login required7-Mar-2021Ni(100)-3x3-CHCH(CH3)2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--434.99564882; eV
Login required7-Mar-2021Cu(100)-3x3-C(CH3)2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--300.21833452; eV
thumbnail.jpeg12-Mar-2021/hubbard-correction Cu(100)-2x2-6l-CO-B-U-1_50-CDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--102.13630884; eV
thumbnail.jpeg12-Mar-2021/hubbard-correction Cu(100)-2x2-6l-CO-B-U-1_50-ODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--102.05660515; eV
thumbnail.jpeg12-Mar-2021/hubbard-correction Cu(100)-2x2-6l-CO-T-U-1_50-CDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--102.09249392; eV
thumbnail.jpeg12-Mar-2021/hubbard-correction Cu(100)-2x2-4l-CO-B-U-2_00-ODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--71.02880016; eV
thumbnail.jpeg12-Mar-2021/hubbard-correction Cu(100)-2x2-4l-CO-T-U-2_00-CDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--71.15932904; eV
thumbnail.jpeg12-Mar-2021/hubbard-correction Cu(100)-2x2-4l-CO-T-U-2_00-ODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--70.98823438; eV
Results 2621-2630 of 5040 (Search time: 0.056 seconds).