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Showing results 10765 to 10784 of 62969 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Aug-2018Cu(100)-Te-OHGarcía Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--336.62289046; eV
thumbnail.jpeg3-Aug-2018Cu(100)-Te-SHGarcía Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--327.86401431; eV
thumbnail.jpeg3-Aug-2018Cu(100)-Te-XCOOHGarcía Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--350.94835702; eV
thumbnail.jpeg3-Aug-2018Cu(100)-Te-XCO₂García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--346.76051328; eV
thumbnail.jpeg3-Aug-2018Cu(110)-CleanGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationDFT--103.09683068; eV
thumbnail.jpeg3-Aug-2018Cu(110)-COGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationDFT--118.49040213; eV
thumbnail.jpeg3-Aug-2018Cu(110)-COOHGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationDFT--129.25073436; eV
thumbnail.jpeg3-Aug-2018Cu(110)-CO₂-η²(C_O)García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--124.75717201; eV
thumbnail.jpeg3-Aug-2018Cu(110)-CO₂-η¹(C)García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--125.16547683; eV
thumbnail.jpeg18-Oct-2020Cu(110)-E-000Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--46.97294660; eV
thumbnail.jpeg3-Aug-2018Cu(110)-HGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationDFT--106.58170163; eV
thumbnail.jpeg3-Aug-2018Cu(110)-HCOO-biGarcía Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--129.96756713; eV
thumbnail.jpeg3-Aug-2018Cu(110)-HCOO-monoGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationDFT--130.40672032; eV
thumbnail.jpeg3-Aug-2018Cu(110)-H₂OGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationDFT--117.48351148; eV
thumbnail.jpeg3-Aug-2018Cu(110)-OGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationDFT--109.70529919; eV
thumbnail.jpeg3-Aug-2018Cu(110)-O-CleanGarcía Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--109.55581646; eV
thumbnail.jpeg3-Aug-2018Cu(110)-O-COGarcía Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--125.12794613; eV
thumbnail.jpeg3-Aug-2018Cu(110)-O-COOHGarcía Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--136.17308463; eV
thumbnail.jpeg3-Aug-2018Cu(110)-O-CO₂-η²(C_O)García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--131.46436825; eV
thumbnail.jpeg3-Aug-2018Cu(110)-O-CO₂-η¹(C)García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--131.48631594; eV