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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Nov-2023 | 2Zn-CeO2_other_unstable_configuration_1 | Wu, Tiantian | vasp; 6.3.0; 20Jan22 (build Nov 15 2022 14:22:01) complex | N/A | DFT | - | -424.95148192; eV | |||
| 6-Nov-2023 | 2Zn-CeO2_other_unstable_configuration_2 | Wu, Tiantian | vasp; 6.3.0; 20Jan22 (build Nov 15 2022 14:22:01) complex | N/A | DFT | - | -423.91714748; eV | |||
| 6-Nov-2023 | 2Zn-CeO2_other_unstable_configuration_3 | Wu, Tiantian | vasp; 6.3.0; 20Jan22 (build Nov 15 2022 14:22:01) complex | N/A | DFT | - | -424.91238373; eV | |||
| 6-Nov-2023 | 2Rh-CeO2_other_unstable_configuration_4 | Wu, Tiantian | vasp; 6.3.0; 20Jan22 (build Nov 15 2022 14:22:01) complex | N/A | DFT | - | -432.87518813; eV | |||
| 6-Nov-2023 | 2Zn-CeO2_other_unstable_configuration_4 | Wu, Tiantian | vasp; 6.3.0; 20Jan22 (build Nov 15 2022 14:22:01) complex | N/A | DFT | - | -424.79288276; eV | |||
| 6-Nov-2023 | 2Pd-CeO2_other_unstable_configuration_1 | Wu, Tiantian | vasp; 6.3.0; 20Jan22 (build Nov 15 2022 14:22:01) complex | N/A | DFT | - | -429.13170185; eV | |||
| 6-Nov-2023 | /AIMD_calculations_on_2Pd-CeO2 AIMD_on_2Pd-CeO2_in_an_0_3V_Å_electric_field | Wu, Tiantian | vasp; 6.3.0; 20Jan22 (build Nov 15 2022 14:22:01) complex | N/A | DFT | - | -428.94877235; eV | |||
| 6-Nov-2023 | /AIMD_calculations_on_2Pd-CeO2 AIMD_on_2Pd-CeO2 | Wu, Tiantian | vasp; 6.3.0; 20Jan22 (build Nov 15 2022 14:22:01) complex | N/A | DFT | - | -426.70278016; eV | |||
| 6-Nov-2023 | 2Zn-CeO2_other_unstable_configuration_5 | Wu, Tiantian | vasp; 6.3.0; 20Jan22 (build Nov 15 2022 14:22:01) complex | N/A | DFT | - | -424.05851172; eV | |||
| 6-Nov-2023 | 2Cu-CeO2_other_unstable_configuration_4 | Wu, Tiantian | vasp; 6.3.0; 20Jan22 (build Nov 15 2022 14:22:01) complex | N/A | DFT | - | -427.09011013; eV |
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