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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-au-H2O-CO2-t-2982-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1424.90180103; eV
thumbnail.jpeg16-Feb-2021/AIMD AIMD-au-H2O-Li-0-2000-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyAb-Initio Molecular DynamicsDFT--1401.93763811; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-au-H2O-Cs-CO2-t-5949-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1425.54786097; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-au-H2O-Li-CO2-t-5942-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1425.82828693; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-au-H2O-K-CO2-t-5950-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1424.19089838; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-au-H2O-CO2-t-2998-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1424.44475243; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-au-H2O-CO2-t-2994-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1424.16887998; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-au-H2O-CO2-t-2996-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1424.71494127; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-au-H2O-CO2-t-2992-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1424.57059483; eV
thumbnail.jpeg16-Feb-2021/AIMD AIMD-au-H2O-Li-CO2-1001-2000-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyAb-Initio Molecular DynamicsDFT--1425.38168874; eV
Results 1511-1520 of 5271 (Search time: 0.004 seconds).