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. |
---|---|---|---|---|---|---|---|---|---|---|---|
4-Apr-2023 | /Bare_CuO_111_surface Bare_CuO_111_surface | Tangpakonsab, Parinya | vasp; 6.2.1; 16May21 (build Jun 29 2022 11:52:38) complex | N/A | DFT | - | -322.22229899; eV | ||||
4-Apr-2023 | /H2_ads H2_ads_on_Cu2+ | Tangpakonsab, Parinya | vasp; 6.2.1; 16May21 (build Jun 29 2022 11:52:38) complex | N/A | DFT | - | -329.16068135; eV | ||||
4-Apr-2023 | /H2_ads H2_ads_on_Cu+ | Tangpakonsab, Parinya | vasp; 6.2.1; 16May21 (build Jun 29 2022 11:52:38) complex | N/A | DFT | - | -322.08624075; eV | ||||
4-Apr-2023 | /CO_ads CO_ads_on_Cu0 | Tangpakonsab, Parinya | vasp; 6.2.1; 16May21 (build Jun 29 2022 11:52:38) complex | N/A | DFT | - | -301.85255154; eV | ||||
4-Apr-2023 | /CO_ads CO_ads_on_Cu+ | Tangpakonsab, Parinya | vasp; 6.2.1; 16May21 (build Jun 29 2022 11:52:38) complex | N/A | DFT | - | -330.92663661; eV | ||||
4-Apr-2023 | /O2_reoxidation H2_ads_on_extra_O | Tangpakonsab, Parinya | vasp; 6.2.1; 16May21 (build Jun 29 2022 11:52:38) complex | N/A | DFT | - | -337.34560127; eV | ||||
4-Apr-2023 | /O2_reoxidation CO_ads_on_extra_O | Tangpakonsab, Parinya | vasp; 6.2.1; 16May21 (build Jun 29 2022 11:52:38) complex | N/A | DFT | - | -345.52308290; eV | ||||
4-Apr-2023 | /H2_ads H2_ads_on_Cu0 | Tangpakonsab, Parinya | vasp; 6.2.1; 16May21 (build Jun 29 2022 11:52:38) complex | N/A | DFT | - | -293.00806716; eV | ||||
4-Apr-2023 | /Oxygen_vacancy O4c | Tangpakonsab, Parinya | vasp; 6.2.1; 16May21 (build Jun 29 2022 11:52:38) complex | N/A | DFT | - | -314.41031208; eV | ||||
4-Apr-2023 | /Oxygen_vacancy O3c | Tangpakonsab, Parinya | vasp; 6.2.1; 16May21 (build Jun 29 2022 11:52:38) complex | N/A | DFT | - | -314.88302394; eV |
Results 1-10 of 12 (Search time: 0.001 seconds).