Search
Add filters:
Use filters to refine the search results.
Item hits:
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 | ||||
2-Sep-2022 | Figure 4g iv (Figure 4i) | 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 ii (Figure 4h) | 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 v | 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 vi | 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 | /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 |
Results 31-40 of 60 (Search time: 0.001 seconds).
Discover
Subject