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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-Li-CO2-t-5942-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1402.97987698; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-K-CO2-t-5951-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1401.21328720; eV
thumbnail.jpeg4-Feb-2021/input Au-bulkDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--12.88010560; eV
thumbnail.jpeg5-May-2021/input Cs-bulkDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1.69466370; eV
thumbnail.jpeg5-May-2021/input K-bulkDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2.08812033; eV
thumbnail.jpeg5-May-2021/input Na-bulkDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2.90125065; eV
thumbnail.jpeg5-May-2021/input Li-bulkDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--3.80641099; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-Li-CO2-t-5943-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1402.79264441; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-Na-CO2-t-5912-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1400.05828408; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-Na-CO2-t-5914-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1400.53099457; eV
Results 1-10 of 1309 (Search time: 0.0 seconds).