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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Jun-2022Au-111-3x3-CO2-el-06Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--180.34574366; eV
thumbnail.jpeg7-Jun-2022Au-111-3x3-CO2-el-00-1eDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--46.83360927; eV
thumbnail.jpeg7-Feb-2022/energy-references gas-C12H8N2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--154.01890333; eV
thumbnail.jpeg7-Feb-2022/energy-references gas-CO2Dattila, Federicovasp; 5.3.2; 13Sep12 (build Oct 24 2012 13:28:27) complexGeometry optimizationDFT--22.96215586; eV
thumbnail.jpeg7-Jun-2022Au-111-3x3-CO2-el-04-1eDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--46.85516545; eV
thumbnail.jpeg7-Jun-2022Au-111-3x3-CO2-el-06-1eDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--46.70835802; eV
thumbnail.jpeg7-Jun-2022Au-111-3x3-CO2-el-00Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--179.41839425; eV
thumbnail.jpeg7-Jun-2022Au-111-3x3-CO2-el-02Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--179.38190750; eV
thumbnail.jpeg7-Jun-2022Au-111-3x3-CO2-el-04Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--179.77045638; eV
thumbnail.jpeg7-Jun-2022Au-111-3x3-CO2-el-02-1eDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--46.81980207; eV
Results 1-10 of 710 (Search time: 0.002 seconds).