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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Nov-2017ol-NiPt-0000García Muelas, Rodrigovasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complexGeometry optimization---257.08298909; eV
thumbnail.jpeg28-Nov-2017ol-NiPt-0111García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---267.06085129; eV
thumbnail.jpeg28-Nov-2017ol-NiOs-0011García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---319.98373416; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl AuPd3(100)-p(3x3)-Pd-CO-CH2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--357.46323870; eV
Login required25-Jun-2024/Intermediates/Au/100 C4H10N2_2Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--238.15636966; eV
thumbnail.jpeg28-Nov-2017ol-ZnRe-2215García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---208.19986795; eV
thumbnail.jpeg28-Nov-2017ol-ZnPt-2215García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---147.40989398; eV
thumbnail.jpeg28-Nov-2017ol-PdZn-2215García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---231.45806760; eV
thumbnail.jpeg28-Nov-2017ss-AgCu-0000García Muelas, Rodrigovasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complexGeometry optimization---134.42612376; eV
thumbnail.jpeg28-Nov-2017ss-AgCu-0011García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---140.00637837; eV
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