Search
Add filters:
Use filters to refine the search results.
Item hits:
| 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 slab-sno2 | Morales-Vidal, Jordi | vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only | Single point | DFT | - | -818.21253109; eV | |||
| 29-Sep-2025 | /Single-points/HSE-13-111kp/Ovac_subsurface slab-geo2 | Morales-Vidal, Jordi | vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only | Single point | DFT | - | -843.54439884; eV | |||
| 29-Sep-2025 | /Single-points/HSE-13-111kp/Ovac_subsurface slab-tio2 | Morales-Vidal, Jordi | vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only | Single point | DFT | - | -1175.02875480; eV | |||
| 29-Sep-2025 | /Single-points/HSE-13-111kp/Ovac_subsurface slab-zro2 | Morales-Vidal, Jordi | vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only | Single point | DFT | - | -1305.78367935; eV | |||
| 29-Sep-2025 | /Single-points/HSE-13-111kp/Ovac_subsurface nh3-b-tio2 | Morales-Vidal, Jordi | vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only | Single point | DFT | - | -1914.01789373; eV | |||
| 29-Sep-2025 | /Single-points/HSE-13-111kp/Ovac_subsurface nh3-m-zro2 | Morales-Vidal, Jordi | vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only | Single point | DFT | - | -2131.94745371; eV | |||
| 29-Sep-2025 | /Single-points/HSE-13-111kp/Ovac_subsurface nh3-a-tio2 | Morales-Vidal, Jordi | vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only | Single point | DFT | - | -1441.71014147; eV | |||
| 29-Sep-2025 | /Single-points/HSE-13-111kp/Ovac_subsurface nh3-c-zro2 | Morales-Vidal, Jordi | vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only | Single point | DFT | - | -899.46882901; eV | |||
| 29-Sep-2025 | /Single-points/HSE-13-111kp/Ovac_subsurface nh3-t-zro2 | Morales-Vidal, Jordi | vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only | Single point | DFT | - | -1597.48757761; eV | |||
| 29-Sep-2025 | /Single-points/HSE-13-111kp/Ovac_subsurface nh3-in2o3 | Morales-Vidal, Jordi | vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only | Single point | DFT | - | -1257.94241432; eV |
Results 98201-98210 of 103542 (Search time: 0.066 seconds).
Discover
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
- next >