1. Institute of Chemical Research of Catalonia

Browsing by Author Dattila, Federico

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Showing results 2383 to 2402 of 5325 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2908-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1402.48920615; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2909-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1402.76359650; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2910-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1403.05349354; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2911-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1403.06855178; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2912-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1402.77595946; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2913-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1402.53288988; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2914-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1402.76195063; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2915-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1403.16790005; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2916-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1403.03156041; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2917-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1402.59871994; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2918-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1402.44784628; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2919-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1402.43960946; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2920-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1402.43860451; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2921-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1402.42842237; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2922-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1402.22269172; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2923-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1401.90192831; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2924-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1401.97227766; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2925-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1402.23743020; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2926-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1402.20755553; eV
thumbnail.jpeg16-Feb-2021/CO2-adsorption CO₂-ref-au-H2O-CO2-t-2927-fsDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1402.08215053; eV
Showing results 2383 to 2402 of 5325 < previous   next >