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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 2-Feb-2026 | /Interfaces-MLIP/DFT-single-points/CeO₂-M/CeO₂-Pd CeO₂-Pd-4vac | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -502.70423197; eV | |||
 | 2-Feb-2026 | /Interfaces-MLIP/DFT-single-points/CeO₂-M/CeO₂-Pd CeO₂-Pd-0vac | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -532.31951407; eV | |||
 | 2-Feb-2026 | /Interfaces-MLIP/DFT-single-points/CeO₂-M/CeO₂-Pd CeO₂-Pd-1vac | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -525.25013186; eV | |||
 | 2-Feb-2026 | /Interfaces-MLIP/DFT-single-points/CeO₂-M/CeO₂-Pd CeO₂-Pd-2vac | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -516.89110232; eV | |||
 | 2-Feb-2026 | /Interfaces/CeO₂-M/CeO₂-Pt CeO₂-Pt-16vac | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | - | |||
 | 2-Feb-2026 | /Interfaces/CeO₂-M/CeO₂-Pt CeO₂-Pt-15vac | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | - | |||
 | 2-Feb-2026 | /Interfaces/CeO₂-M/CeO₂-Pt CeO₂-Pt-17vac | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | - | |||
 | 2-Feb-2026 | /Interfaces/CeO₂-M/CeO₂-Pt CeO₂-Pt-18vac | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | - | |||
 | 29-Sep-2025 | /Single-points/PBE-111kp/Ovac_subsurface co-in2o3 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:25:58) gamma-only | Single point | DFT | - | -1125.04173424; eV | |||
| 29-Sep-2025 | /Single-points/PBE-111kp/Ovac_subsurface co-b-tio2 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:25:58) gamma-only | Single point | DFT | - | -1553.46853500; eV |
Results 102321-102330 of 103542 (Search time: 0.057 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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