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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/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 | |||
 | 18-Aug-2022 | /CO2_reduction/oxidized_cluster Zn_oxidized_cluster | Ding, Yanyan | vasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complex | Geometry optimization | DFT | - | -801.10644998; eV | |||
 | 18-Aug-2022 | /CO2_reduction/metallic_cluster HCOO_ads_Sn_cluster | Ding, Yanyan | vasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complex | Geometry optimization | DFT | - | -753.88567383; eV | |||
 | 2-Sep-2022 | Figure 4g iii | Dandu, Naveen; Rojas, Tomas; Ngo, Anh; Hla, Saw-Wai | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 07 2017 12:30:28) gamma-only | Geometry optimization | DFT | - | - | |||
 | 2-Sep-2022 | Figure 4g i | Dandu, Naveen; Rojas, Tomas; Ngo, Anh; Hla, Saw-Wai | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 07 2017 12:30:28) gamma-only | Geometry optimization | DFT | - | - | |||
 | 18-Aug-2022 | /CO2_reduction/metallic_cluster COOH_ads_Ag_cluster | Ding, Yanyan | vasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complex | Geometry optimization | DFT | - | -744.58783374; eV | |||
 | 18-Aug-2022 | /CO2_reduction/metallic_cluster HCOO_ads_Ag_cluster | Ding, Yanyan | vasp; 5.4.1; 24Jun15 (build May 18 2016 17:04:48) complex | Geometry optimization | DFT | - | -745.52205549; eV |
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