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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 29-Sep-2025 | /Single-points/HSE-13-111kp/Ovac_subsurface co-mgo | Morales-Vidal, Jordi | vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only | Single point | DFT | - | -419.98463716; eV | |||
| 29-Sep-2025 | /Single-points/HSE-13-111kp/Ovac_subsurface py-iro2 | Morales-Vidal, Jordi | vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only | Single point | DFT | - | -1025.98192783; eV | |||
| 29-Sep-2025 | /Single-points/HSE-13-111kp/Ovac_subsurface py-ruo2 | Morales-Vidal, Jordi | vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only | Single point | DFT | - | -1069.26037386; eV | |||
| 29-Sep-2025 | /Single-points/HSE-13-111kp/Ovac_subsurface py-sno2 | Morales-Vidal, Jordi | vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only | Single point | DFT | - | -896.50433803; eV | |||
| 29-Sep-2025 | /Single-points/HSE-13-111kp/Ovac_subsurface py-tio2 | Morales-Vidal, Jordi | vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only | Single point | DFT | - | -1252.72217725; eV | |||
| 29-Sep-2025 | /Single-points/HSE-13-111kp/Ovac_subsurface py-cao | Morales-Vidal, Jordi | vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only | Single point | DFT | - | -503.22325224; eV | |||
| 29-Sep-2025 | /Single-points/HSE-13-111kp/Ovac_subsurface py-bao | Morales-Vidal, Jordi | vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only | Single point | DFT | - | -471.42263815; eV | |||
| 29-Sep-2025 | /Single-points/HSE-13-111kp/Ovac_subsurface py-mgo | Morales-Vidal, Jordi | vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only | Single point | DFT | - | -480.61194939; eV | |||
| 29-Sep-2025 | /Single-points/HSE-13-111kp/Ovac_subsurface py-sro | Morales-Vidal, Jordi | vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only | Single point | DFT | - | -480.70485925; eV | |||
| 29-Sep-2025 | /Single-points/HSE-13-111kp/Ovac_subsurface nh3-zno | Morales-Vidal, Jordi | vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only | Single point | DFT | - | -249.29478947; 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
- 3932 Copper
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