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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Nov-2023 | /CO2RR_on_CeO2 Co_on_CeO2 | Wu, Tiantian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 21 2021 12:14:13) complex | Geometry optimization | DFT | - | -441.87312481; eV | |||
| 6-Nov-2023 | /CO2RR_on_CeO2 TS1_CeO2 | Wu, Tiantian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 21 2021 12:11:19) complex | Geometry optimization | DFT | - | -448.90069486; eV | |||
 | 6-Nov-2023 | 2Pd-CeO2 | Wu, Tiantian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 21 2021 12:14:13) complex | Geometry optimization | DFT | - | -430.37901769; eV | |||
| 6-Nov-2023 | /CO2RR_on_CeO2 COo+Vo_on_CeO2 | Wu, Tiantian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 21 2021 12:14:13) complex | Geometry optimization | DFT | - | -441.76886306; eV | |||
| 6-Nov-2023 | /CO2RR_on_CeO2 CO2o+Vo_on_CeO2 | Wu, Tiantian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 21 2021 12:14:13) complex | Geometry optimization | DFT | - | -449.44398552; eV | |||
| 6-Nov-2023 | /CO2RR_on_CeO2 COo_on_CeO2 | Wu, Tiantian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 21 2021 12:14:13) complex | Geometry optimization | DFT | - | -449.09208935; eV | |||
| 6-Nov-2023 | /CO2RR_on_CeO2 CO2o_on_CeO2 | Wu, Tiantian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 21 2021 12:14:13) complex | Geometry optimization | DFT | - | -457.38129845; eV |
Results 41-47 of 47 (Search time: 0.001 seconds).