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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 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-11 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Frequencies | DFT | - | -1859.60019413; 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-OCCO-asymmetric-8 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Frequencies | DFT | - | -1871.49797730; eV | ||||
| 5-May-2020 | freq-OCCO-asymmetri-12 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Frequencies | DFT | - | -1859.23245631; eV | ||||
| 5-May-2020 | freq-OCCO-asymmetric-14 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Frequencies | DFT | - | -1859.23534010; eV | ||||
| 5-May-2020 | freq-OCCO-asymmetric-1 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Frequencies | DFT | - | -1871.83441103; eV | ||||
| 5-May-2020 | freq-OCCO-asymmetric-13 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Frequencies | DFT | - | -1859.67896347; eV | ||||
| 5-May-2020 | Cu(100)-Clean | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -319.53644956; eV |
Results 16451-16460 of 103542 (Search time: 0.011 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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