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 | freq-OCCO-asymmetric-2 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Frequencies | DFT | - | -1871.14510493; eV | |||
 | 5-May-2020 | freq-OCCO-asymmetric-6 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Frequencies | DFT | - | -1871.28401413; eV | |||
 | 5-May-2020 | freq-OCCO-asymmetric-3 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Frequencies | DFT | - | -1870.82370433; eV | |||
 | 5-May-2020 | freq-OCCO-asymmetric-4 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Frequencies | DFT | - | -1871.69596606; eV | |||
 | 5-May-2020 | freq-OCCO-asymmetric-5 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Frequencies | DFT | - | -1871.39798397; eV | |||
 | 5-May-2020 | freq-OCCO-asymmetric-7 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Frequencies | DFT | - | -1872.60896207; eV | |||
 | 5-May-2020 | freq-glyoxylate-5 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Frequencies | DFT | - | -1859.99591914; eV | |||
 | 5-May-2020 | freq-glyoxylate-6 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Frequencies | DFT | - | -1860.19903035; eV | |||
 | 5-May-2020 | freq-glyoxylate-1 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Frequencies | DFT | - | -1873.47243226; eV | |||
 | 5-May-2020 | freq-OCCO-symmetric-2 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Frequencies | DFT | - | -1872.15104435; eV |
Results 1-10 of 306 (Search time: 0.001 seconds).