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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Aug-2022 | /CO2_reduction/alloy COOH_ads_NiCu | Ding, Yanyan | vasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complex | Geometry optimization | DFT | - | -736.12240233; eV | |||
 | 18-Aug-2022 | /Stepped_Cu_structure HCOO_ads | Ding, Yanyan | vasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complex | Geometry optimization | DFT | - | -732.12412154; eV | |||
 | 18-Aug-2022 | /CO2_reduction/alloy NiCu | Ding, Yanyan | vasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complex | Geometry optimization | DFT | - | -709.38412787; eV | |||
 | 18-Aug-2022 | /Stepped_Cu_structure COOH_ads | Ding, Yanyan | vasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complex | Geometry optimization | DFT | - | -731.22914848; eV | |||
 | 18-Aug-2022 | /Stepped_Cu_structure stepped_Cu111 | Ding, Yanyan | vasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complex | Geometry optimization | DFT | - | -704.70190782; eV | |||
 | 18-Aug-2022 | /CO2_reduction/oxidized_cluster HCOO_ads_Fe_oxidized_cluster | Ding, Yanyan | vasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complex | Geometry optimization | DFT | - | -858.79826152; eV | |||
 | 18-Aug-2022 | /CO2_reduction/oxidized_cluster COOH_ads_Fe_oxidized_cluster | Ding, Yanyan | vasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complex | Geometry optimization | DFT | - | -858.58788071; eV | |||
 | 18-Aug-2022 | /CO2_reduction/oxidized_cluster HCOO_ads_Zn_oxidized_cluster | Ding, Yanyan | vasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complex | Geometry optimization | DFT | - | -828.11975608; eV | |||
 | 18-Aug-2022 | /CO2_reduction/oxidized_cluster COOH_ads_Zn_oxidized_cluster | Ding, Yanyan | vasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complex | Geometry optimization | DFT | - | -827.41903727; eV | |||
 | 18-Aug-2022 | /CO2_reduction/oxidized_cluster Fe_oxidized_cluster | Ding, Yanyan | vasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complex | Geometry optimization | DFT | - | -831.97928863; eV |
Results 1-10 of 22 (Search time: 0.001 seconds).