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. |
---|---|---|---|---|---|---|---|---|---|---|---|
5-May-2020 | XPS-6L-red-Cu-2p-270 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Single point | DFT | - | -2080.19679409; eV | ||||
5-May-2020 | XPS-SY-red-Cu-2p-202 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Single point | DFT | - | -1723.87790465; eV | ||||
5-May-2020 | XPS-SY-red-Cu-2p-237 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Single point | DFT | - | -1723.88702806; eV | ||||
5-May-2020 | XPS-6L-red-Cu-2p-261 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Single point | DFT | - | -2080.33137948; eV | ||||
5-May-2020 | XPS-6L-red-Cu-2p-265 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Single point | DFT | - | -2080.29569987; eV | ||||
5-May-2020 | XPS-4R-red-Cu-2p-261 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Single point | DFT | - | -2092.97842934; eV | ||||
5-May-2020 | XPS-6L-red-Cu-2p-278 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Single point | DFT | - | -2080.54336201; eV | ||||
5-May-2020 | XPS-4R-red-Cu-2p-265 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Single point | DFT | - | -2093.06680410; eV | ||||
5-May-2020 | XPS-4R-red-Cu-2p-270 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Single point | DFT | - | -2092.89595494; eV | ||||
5-May-2020 | XPS-4R-red-Cu-2p-269 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Single point | DFT | - | -2092.97763403; eV |
Results 3031-3040 of 6011 (Search time: 0.006 seconds).
Discover
Subject
- 1768 Electrochemical CO₂ reduction
- 1750 Explicit solvation
- 1200 Ab initio calculations
- 1200 Ab initio molecular dynamics
- 1200 Cation
- 1200 Gold
- 1200 Water molecules
- 976 Alkali cation
- 976 Bivalent cation
- 976 Electrochemical H₂O reduction
- next >
Program name
- 5960 vasp
- 51 QuantumEspresso