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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Aug-2018Cu(111)-Te-CleanGarcía Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--133.10080340; eV
thumbnail.jpeg3-Aug-2018Cu(111)-Te-HGarcía Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--136.64216658; eV
thumbnail.jpeg3-Aug-2018Cu(111)-Te-OGarcía Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--139.37373058; eV
thumbnail.jpeg3-Aug-2018Cu(111)-Te-H₂OGarcía Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--147.78462398; eV
thumbnail.jpeg3-Aug-2018Cu(111)-Te-OHGarcía Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--143.84806259; eV
thumbnail.jpeg3-Aug-2018Cu(111)-Te-CO₂-η²(C_O)García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--154.64110040; eV
thumbnail.jpeg3-Aug-2018Cu(111)-Te-CO₂-η¹(C)García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--154.81877940; eV
thumbnail.jpeg3-Aug-2018Cu(111)-Te-COGarcía Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--148.86804076; eV
thumbnail.jpeg3-Aug-2018Cu(111)-Te-SHGarcía Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--135.41867112; eV
thumbnail.jpeg3-Aug-2018Cu(111)-Te-HCOO-monoGarcía Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--159.96120506; eV
Results 241-250 of 274 (Search time: 0.001 seconds).