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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-May-2022/Ea-CO-CO-coupling-multivalent-cation Cu(100)-p(3x3)-CO-CO-Nd3+Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--395.94792377; eV
thumbnail.jpeg28-May-2022/Ea-CO-CO-coupling-multivalent-cation Cu(100)-p(3x3)-CO-CO-Ba2+Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--396.11471648; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl NiAl(100)-p(3x3)-Al-COCHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--372.85624108; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl NiAl(100)-p(3x3)-Al-2CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--375.92632517; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl NiAl(100)-p(3x3)-Al-CO-CH2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--376.91880843; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl NiAl(100)-p(3x3)-Al-CO-CHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--372.65458374; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl NiAl(100)-p(3x3)-Al-CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--359.80162325; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl NiAl(100)-p(3x3)-Al-HDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--347.81875224; eV
thumbnail.jpeg28-May-2022/Ea-CO-CO-coupling-multivalent-cation Cu(100)-p(3x3)-CO-CO-Cs+Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--398.22257478; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl NiAl(100)-p(3x3)-Al-COCODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--376.07408903; eV
Results 51-60 of 2401 (Search time: 0.002 seconds).