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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required16-Apr-2022Au-111-3x3-CO2-H+-el-06-1eDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--183.53874304; eV
Login required16-Apr-2022Au-111-3x3-CO2-H+-el-00-1eDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--182.53107725; eV
Login required16-Apr-2022Au-111-3x3-CO2-H+-el-02-1eDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--182.50982611; eV
Login required16-Apr-2022Au-111-3x3-CO2-H+-el-04-1eDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--182.77221380; eV
Login required16-Apr-2022Au-111-3x3-CO2-K+-el-00Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--178.50394733; eV
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