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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required7-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
Login required7-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
Login required7-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
Login required7-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
Login required7-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
Login required7-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
Login required7-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
Login required7-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
Login required16-Apr-2022Au-111-3x3-CO2-K+-el-02-1eDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--183.07968033; eV
Login required16-Apr-2022Au-111-3x3-CO2-K+-el-06-1eDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--183.73020552; eV
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