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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required7-Mar-20211O-doped-Ni(100)-3x3-HDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--378.60690661; eV
Login required7-Mar-2021NiO(100)-3x3-HDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--736.79492317; eV
Login required7-Mar-2021Ni(100)-3x3-HDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--372.65996157; eV
Login required7-Mar-20211O-doped-Ni(100)-3x3-OCCH2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--406.79345325; eV
Login required7-Mar-20212O-doped-Ni(100)-3x3-COOHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--407.89233552; eV
Login required7-Mar-20214O-doped-Ni(100)-3x3-COOHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--419.65766697; eV
Login required7-Mar-20213O-doped-Ni(100)-3x3-COOHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--414.10782265; eV
Login required7-Mar-2021NiO(100)-3x3-OCCH2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--766.36664612; eV
Login required7-Mar-2021Ni(100)-3x3-OCCH2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--401.14617178; eV
Login required7-Mar-2021Cu(100)-3x3-COOHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--278.15127893; eV
Results 791-800 of 817 (Search time: 0.003 seconds).