1. Institute of Chemical Research of Catalonia

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Showing results 19283 to 19302 of 62999 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg12-Mar-2021/hubbard-correction Cu(100)-2x2-4l-CO-T-U-1_75-CDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--71.29453185; eV
thumbnail.jpeg12-Mar-2021/hubbard-correction Cu(100)-2x2-4l-CO-T-U-1_75-ODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--71.16679748; 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
thumbnail.jpeg12-Mar-2021/hubbard-correction Cu(100)-2x2-6l-CO-B-U-1_25-CDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--102.27622611; eV
thumbnail.jpeg12-Mar-2021/hubbard-correction Cu(100)-2x2-6l-CO-B-U-1_25-ODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--102.23683925; 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-B-U-1_75-CDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--101.99719945; eV
thumbnail.jpeg12-Mar-2021/hubbard-correction Cu(100)-2x2-6l-CO-B-U-1_75-ODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--101.87743190; eV
thumbnail.jpeg12-Mar-2021/hubbard-correction Cu(100)-2x2-6l-CO-B-U-2_00-CDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--101.85866921; eV
thumbnail.jpeg12-Mar-2021/hubbard-correction Cu(100)-2x2-6l-CO-B-U-2_00-ODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--101.69794053; eV
thumbnail.jpeg12-Mar-2021/hubbard-correction Cu(100)-2x2-6l-CO-T-U-1_25-CDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--102.22846210; eV
thumbnail.jpeg12-Mar-2021/hubbard-correction Cu(100)-2x2-6l-CO-T-U-1_25-ODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--102.18600356; 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)-2x2-6l-CO-T-U-1_50-ODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--102.00717804; eV
thumbnail.jpeg12-Mar-2021/hubbard-correction Cu(100)-2x2-6l-CO-T-U-1_75-CDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--101.95695144; eV
thumbnail.jpeg12-Mar-2021/hubbard-correction Cu(100)-2x2-6l-CO-T-U-1_75-ODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--101.82866090; eV
thumbnail.jpeg12-Mar-2021/hubbard-correction Cu(100)-2x2-6l-CO-T-U-2_00-CDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--101.82161164; eV
thumbnail.jpeg12-Mar-2021/hubbard-correction Cu(100)-2x2-6l-CO-T-U-2_00-ODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--101.65027099; eV
Showing results 19283 to 19302 of 62999 < previous   next >