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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Mar-2021Cu(100)-3x3-CH2-CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--283.02904556; eV
thumbnail.jpeg7-Mar-20214O-doped-Ni(100)-3x3-CHCH2CH2CH3Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--456.97935382; eV
thumbnail.jpeg7-Mar-20212O-doped-Ni(100)-3x3-CHCH2CH2CH3Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--447.36700348; eV
thumbnail.jpeg7-Mar-20212O-doped-Ni(100)-3x3-C(CH3)2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--429.67381301; eV
thumbnail.jpeg7-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
thumbnail.jpeg7-Mar-20211O-doped-Ni(100)-3x3-CHCH2CH2CH3Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--440.72329558; eV
thumbnail.jpeg7-Mar-20213O-doped-Ni(100)-3x3-CHCH2CH2CH3Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--453.59448925; eV
thumbnail.jpeg7-Mar-2021NiO(100)-3x3-C(CH3)2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--783.54697160; eV
thumbnail.jpeg7-Mar-2021NiO(100)-3x3-CHCH2CH2CH3Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--801.60096360; eV
thumbnail.jpeg7-Mar-2021Ni(100)-3x3-C(CH3)2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--418.32644396; eV
Results 741-750 of 817 (Search time: 0.003 seconds).