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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 2-Feb-2026 | /redCO2 CuML-Au(111)(3x3)-CHO | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex | Geometry optimization | DFT | - | -162.55659994; eV | ||||
| 2-Feb-2026 | /redCO2 CuML-Ag(111)(3x3)-CHO | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex | Geometry optimization | DFT | - | -142.30892135; eV | ||||
| 2-Feb-2026 | /redCO2 CuML-Au(111)(3x3)-Clean | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex | Geometry optimization | DFT | - | -143.77626979; eV | ||||
| 2-Feb-2026 | /redCO2 CuML-Au(111)(3x3)-CO | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex | Geometry optimization | DFT | - | -159.84463241; eV | ||||
| 2-Feb-2026 | /redCO2 CuML-Au(111)(3x3)-H | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex | Geometry optimization | DFT | - | -147.01151265; eV | ||||
| 2-Feb-2026 | /redCO2 CuML-Ag(111)(3x3)-H | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex | Geometry optimization | DFT | - | -126.81142641; eV | ||||
| 2-Feb-2026 | /redCO2 CuML-Ag(111)(3x3)-CO | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex | Geometry optimization | DFT | - | -139.52082783; eV | ||||
| 29-Apr-2026 | /redCO2 CuML-Ag(211)(3x3)-CO | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex | Geometry optimization | DFT | - | -140.22218846; eV |
Results 104501-104508 of 104508 (Search time: 0.064 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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