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Collection hits:
| Collection Name |
|---|
| Cation_CuCOR_v1 |
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Sep-2026 | /Cu_111/reconstructed/OH_top_i Ejection | DÃaz López, EstefanÃa | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Geometry optimization | DFT | - | - | |||
| 9-Sep-2026 | /Cu_111/reconstructed/OH_top_i NEB | DÃaz López, EstefanÃa | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Geometry optimization | DFT | - | - | |||
| 9-Sep-2026 | /Cu_111/planar/alone alone | DÃaz López, EstefanÃa | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Geometry optimization | DFT | - | -320.22726506; eV | |||
| 9-Sep-2026 | /Cu_111/reconstructed/OH_top_i NEB-1-2 | DÃaz López, EstefanÃa | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Geometry optimization | DFT | - | - | |||
| 9-Sep-2026 | /Cu_111/reconstructed/OH_top_i NEB | DÃaz López, EstefanÃa | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Geometry optimization | DFT | - | - | |||
| 9-Sep-2026 | /Cu_111/reconstructed/OH_top_i Ejection | DÃaz López, EstefanÃa | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Geometry optimization | DFT | - | - |
Results 104291-104297 of 104297 (Search time: 0.06 seconds).
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Subject
- 13599 Heterogeneous catalysis
- 12448 Adsorption
- 12178 Transition metals
- 7049 Transition states
- 4273 Supramolecular chemistry
- 4255 Nanostructures
- 4250 Electrochemical CO₂ reduction
- 4232 Conformation analysis
- 4232 N-Oxides
- 3932 Copper
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