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Browsing by Subject Absorption

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Showing results 1 to 20 of 22  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Aug-2022/CO2_reduction/alloy COOH_ads_NiCuDing, Yanyanvasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complexGeometry optimizationDFT--736.12240233; eV
thumbnail.jpeg18-Aug-2022/CO2_reduction/alloy COOH_ads_ZnCuDing, Yanyanvasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complexGeometry optimizationDFT--724.78761278; eV
thumbnail.jpeg18-Aug-2022/CO2_reduction/alloy HCOO_ads_NiCuDing, Yanyanvasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complexGeometry optimizationDFT--736.76471658; eV
thumbnail.jpeg18-Aug-2022/CO2_reduction/alloy HCOO_ads_ZnCuDing, Yanyanvasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complexGeometry optimizationDFT--725.67879133; eV
thumbnail.jpeg18-Aug-2022/CO2_reduction/alloy NiCuDing, Yanyanvasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complexGeometry optimizationDFT--709.38412787; eV
thumbnail.jpeg18-Aug-2022/CO2_reduction/alloy ZnCuDing, Yanyanvasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complexGeometry optimizationDFT--698.29802690; eV
thumbnail.jpeg18-Aug-2022/CO2_reduction/metallic_cluster Ag_clusterDing, Yanyanvasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complexGeometry optimizationDFT--718.90569516; eV
thumbnail.jpeg18-Aug-2022/CO2_reduction/metallic_cluster COOH_ads_Ag_clusterDing, Yanyanvasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complexGeometry optimizationDFT--744.58783374; eV
thumbnail.jpeg18-Aug-2022/CO2_reduction/metallic_cluster COOH_ads_Sn_clusterDing, Yanyanvasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complexGeometry optimizationDFT--752.91217604; eV
thumbnail.jpeg18-Aug-2022/CO2_reduction/metallic_cluster HCOO_ads_Ag_clusterDing, Yanyanvasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complexGeometry optimizationDFT--745.52205549; eV
thumbnail.jpeg18-Aug-2022/CO2_reduction/metallic_cluster HCOO_ads_Sn_clusterDing, Yanyanvasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complexGeometry optimizationDFT--753.88567383; eV
thumbnail.jpeg18-Aug-2022/CO2_reduction/metallic_cluster Sn_clusterDing, Yanyanvasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complexGeometry optimizationDFT--727.43300891; eV
thumbnail.jpeg18-Aug-2022/CO2_reduction/oxidized_cluster COOH_ads_Fe_oxidized_clusterDing, Yanyanvasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complexGeometry optimizationDFT--858.58788071; eV
thumbnail.jpeg18-Aug-2022/CO2_reduction/oxidized_cluster COOH_ads_Zn_oxidized_clusterDing, Yanyanvasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complexGeometry optimizationDFT--827.41903727; eV
thumbnail.jpeg18-Aug-2022/CO2_reduction/oxidized_cluster Fe_oxidized_clusterDing, Yanyanvasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complexGeometry optimizationDFT--831.97928863; eV
thumbnail.jpeg18-Aug-2022/CO2_reduction/oxidized_cluster HCOO_ads_Fe_oxidized_clusterDing, Yanyanvasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complexGeometry optimizationDFT--858.79826152; eV
thumbnail.jpeg18-Aug-2022/CO2_reduction/oxidized_cluster HCOO_ads_Zn_oxidized_clusterDing, Yanyanvasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complexGeometry optimizationDFT--828.11975608; eV
thumbnail.jpeg18-Aug-2022/CO2_reduction/oxidized_cluster Zn_oxidized_clusterDing, Yanyanvasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complexGeometry optimizationDFT--801.10644998; eV
thumbnail.jpeg18-Aug-2022/Stepped_Cu_structure COOH_adsDing, Yanyanvasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complexGeometry optimizationDFT--731.22914848; eV
thumbnail.jpeg18-Aug-2022/Stepped_Cu_structure HCOO_adsDing, Yanyanvasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complexGeometry optimizationDFT--732.12412154; eV
Showing results 1 to 20 of 22  next >