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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 16-Oct-2026 | Cu(100)_7x5_4layers_EBE_conf4 | Solé Daura, Albert | vasp; 6.5.1; 10Mar25 (build Nov 27 2025 11:00:13) complex | Single point | DFT | - | -798.63832078; eV | |||
| 16-Oct-2026 | Cu(100)_7x5_4layers_EBE_conf5 | Solé Daura, Albert | vasp; 6.5.1; 10Mar25 (build Nov 27 2025 11:00:13) complex | Single point | DFT | - | -798.18099821; eV | |||
| 16-Oct-2026 | Cu(100)_7x5_4layers_EBE_1COads | Solé Daura, Albert | vasp; 6.5.1; 10Mar25 (build Nov 27 2025 11:00:13) complex | Single point | DFT | - | -814.91039755; eV |
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- 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
- 3954 Copper
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