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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg14-Jul-2015Adsorption_of_ClC6H4NH2_on_LindlarAlmora, Neyvisvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexGeometry optimization---527.62904970; eV
thumbnail.jpeg14-Jul-2015Adsorption_of_ClC6H4NO2_on_LindlarAlmora, Neyvisvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexGeometry optimization---530.38511769; eV
thumbnail.jpeg14-Jul-2015Adsorption_of_ClC6H4NH2_on_Pt(111)Almora, Neyvisvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexGeometry optimization---532.51116317; eV
thumbnail.jpeg14-Jul-2015Adsorption_of_ClC6H4NH2_on_c-PtAlmora, Neyvisvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexGeometry optimization---1724.16014645; eV
thumbnail.jpeg14-Jul-2015Adsorption_of_ClC6H4NO2_on_c-PtAlmora, Neyvisvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexGeometry optimization---1725.31315030; eV
thumbnail.jpeg30-Jun-2020i111101García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--144.68694271; eV
thumbnail.jpeg30-Jun-2020i110101García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--137.83783813; eV
thumbnail.jpeg10-Feb-2020CHOH_on_O_of_PbOdAu3p_111Chuong Nguyën, Huuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexGeometry optimizationDFT--156.61504082; eV
thumbnail.jpeg14-Jul-2015Adsorption_of_ClC6H4NO2_on_Pt(111)Almora, Neyvisvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexGeometry optimization---534.52984167; eV
thumbnail.jpeg30-Jun-2020i112102García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--152.44704797; eV
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