Browsing by Title

Jump to: 0-9 A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
or enter first few letters:  
Showing results 6078 to 6097 of 62969 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-Jan-2022/benchmark-Hubbard NiO(100)-3x3-C-U-3_0Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--788.77524145; eV
thumbnail.jpeg19-Jan-2022/benchmark-Hubbard NiO(100)-3x3-C-U-5_0Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--757.62655367; eV
thumbnail.jpeg19-Jan-2022/benchmark-Hubbard NiO(100)-3x3-C-U-6_3Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--740.97172302; eV
thumbnail.jpeg19-Jan-2022/benchmark-Hubbard NiO(100)-3x3-CH-U-1_0Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--842.11386804; eV
thumbnail.jpeg19-Jan-2022/benchmark-Hubbard NiO(100)-3x3-CH-U-3_0Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--793.40248512; eV
thumbnail.jpeg19-Jan-2022/benchmark-Hubbard NiO(100)-3x3-CH-U-5_0Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--762.18371017; eV
thumbnail.jpeg19-Jan-2022/benchmark-Hubbard NiO(100)-3x3-CH-U-6_3Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--745.56679741; eV
thumbnail.jpeg19-Jan-2022/benchmark-Hubbard NiO(100)-3x3-CH2-U-1_0Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--845.90151853; eV
thumbnail.jpeg19-Jan-2022/benchmark-Hubbard NiO(100)-3x3-CH2-U-3_0Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--797.10188926; eV
thumbnail.jpeg19-Jan-2022/benchmark-Hubbard NiO(100)-3x3-CH2-U-5_0Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--766.93356840; eV
thumbnail.jpeg19-Jan-2022/benchmark-Hubbard NiO(100)-3x3-CH2-U-6_3Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--749.77165169; eV
thumbnail.jpeg19-Jan-2022/benchmark-Hubbard NiO(100)-3x3-Clean-U-1_0Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--829.63812250; eV
thumbnail.jpeg19-Jan-2022/benchmark-Hubbard NiO(100)-3x3-Clean-U-3_0Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--783.56218306; eV
thumbnail.jpeg19-Jan-2022/benchmark-Hubbard NiO(100)-3x3-Clean-U-5_0Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--752.73588696; eV
thumbnail.jpeg19-Jan-2022/benchmark-Hubbard NiO(100)-3x3-Clean-U-6_3Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--736.44995480; eV
thumbnail.jpeg19-Jan-2022/benchmark-Hubbard NiO(100)-3x3-COOH-U-1_0Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--859.11242540; eV
thumbnail.jpeg19-Jan-2022/benchmark-Hubbard NiO(100)-3x3-COOH-U-3_0Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--810.89411939; eV
thumbnail.jpeg19-Jan-2022/benchmark-Hubbard NiO(100)-3x3-COOH-U-5_0Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--779.40503948; eV
thumbnail.jpeg19-Jan-2022/benchmark-Hubbard NiO(100)-3x3-COOH-U-6_3Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--762.30866738; eV
thumbnail.jpeg19-Jan-2022/benchmark-Hubbard NiO(100)-3x3-OCCH2-U-1_0Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--862.11535744; eV