1. Institute of Chemical Research of Catalonia

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Showing results 9977 to 9996 of 63196 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2941-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1402.46267483; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2942-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1402.08694627; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2943-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1402.16989722; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2944-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1402.50425433; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2945-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1402.54148228; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2946-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1402.15602731; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2947-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1401.88871635; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2948-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1401.96513998; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2949-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1402.11946995; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2950-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1401.95671504; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2951-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1401.64800510; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2952-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1401.57647244; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2953-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1401.79723313; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2954-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1402.17118768; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2955-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1402.30135140; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2956-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1402.26800263; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2957-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1402.42385079; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2958-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1402.58382996; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2959-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1402.48851349; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2960-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1402.42974016; eV
Showing results 9977 to 9996 of 63196 < previous   next >