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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg12-Mar-2021/hubbard-correction Cu(100)-2x2-8l-CO-T-U-1_75-CDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--132.48487142; eV
thumbnail.jpeg12-Mar-2021/hubbard-correction Cu(100)-2x2-10l-CO-T-U-1_25-CDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--163.46058365; eV
thumbnail.jpeg12-Mar-2021/hubbard-correction Cu(100)-2x2-8l-CO-B-U-2_00-ODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--132.27658811; eV
thumbnail.jpeg12-Mar-2021/hubbard-correction Cu(100)-2x2-8l-CO-B-U-2_00-CDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--132.43650896; eV
thumbnail.jpeg12-Mar-2021/hubbard-correction Cu(100)-2x2-8l-CO-T-U-2_00-CDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--132.35004301; eV
thumbnail.jpeg12-Mar-2021/hubbard-correction Cu(100)-2x2-10l-CO-T-U-1_25-ODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--163.41688670; eV
thumbnail.jpeg12-Mar-2021/hubbard-correction Cu(100)-2x2-8l-CO-T-U-2_00-ODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--132.17917804; eV
Login required10-Jul-2022/solvation sol-off-OD-Cu-261-OCHCH2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complexGeometry optimizationDFT--1869.94569701; eV
Login required10-Jul-2022/solvation sol-on-OD-Cu-261-OCHCH2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complexGeometry optimizationDFT--1870.54099237; eV
Login required10-Jul-2022/solvation sol-off-OD-Cu-261-COCO2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complexGeometry optimizationDFT--1872.06230658; eV
Results 261-270 of 952 (Search time: 0.002 seconds).