1. Institute of Chemical Research of Catalonia

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Showing results 9937 to 9956 of 63313 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg13-Apr-2023/CO2-activation-5H2O PdMLPt(111)-(3x3)-far-K-OH-5H2O-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--331.97028631; eV
thumbnail.jpeg13-Apr-2023/CO2-activation-5H2O PdMLPt(111)-(3x3)-far-K-OH-5H2O-CO2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--355.08237156; eV
thumbnail.jpeg13-Apr-2023/CO2-activation-5H2O PdMLPt(111)-(3x3)-near-K-5H2O-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--337.88805102; eV
thumbnail.jpeg13-Apr-2023/CO2-activation-5H2O PdMLPt(111)-(3x3)-near-K-OH-5H2O-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--332.17861890; eV
thumbnail.jpeg13-Apr-2023/CO2-activation-5H2O PdMLPt(111)-(3x3)-near-K-OH-5H2O-CO2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--355.91854600; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-au-H2O-CO2-t-2901-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1424.63882079; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-au-H2O-CO2-t-2902-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1424.50320413; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-au-H2O-CO2-t-2903-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1424.36763850; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-au-H2O-CO2-t-2904-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1424.60759241; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-au-H2O-CO2-t-2905-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1425.09703510; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-au-H2O-CO2-t-2906-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1425.28384669; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-au-H2O-CO2-t-2907-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1425.00639281; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-au-H2O-CO2-t-2908-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1424.82697649; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-au-H2O-CO2-t-2909-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1425.00423237; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-au-H2O-CO2-t-2910-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1425.22670999; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-au-H2O-CO2-t-2911-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1425.22987156; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-au-H2O-CO2-t-2912-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1424.98485947; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-au-H2O-CO2-t-2913-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1424.82828924; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-au-H2O-CO2-t-2914-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1425.14780300; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-au-H2O-CO2-t-2915-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1425.61497178; eV
Showing results 9937 to 9956 of 63313 < previous   next >