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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 29-Jan-2024 | HOOH_LB | Garay Ruiz, Diego | ADF; 2016 | Geometry optimization | PBE | TZ2P | - | |||
| 29-Jan-2024 | CH3OH | Garay Ruiz, Diego | ADF; 2016 | Geometry optimization | PBE | TZ2P | - | |||
| 29-Jan-2024 | Mo_Int5 | Garay Ruiz, Diego | ADF; 2016 | Geometry optimization | PBE | TZ2P | - | |||
| 29-Jan-2024 | W_Int0 | Garay Ruiz, Diego | ADF; 2016 | Geometry optimization | PBE | TZ2P | - | |||
| 29-Jan-2024 | W_TS1 | Garay Ruiz, Diego | ADF; 2016 | Transition state | PBE | TZ2P | - | |||
| 29-Jan-2024 | W_Int1 | Garay Ruiz, Diego | ADF; 2016 | Single point | PBE | TZ2P | - | |||
| 29-Jan-2024 | Mo_Int2 | Garay Ruiz, Diego | ADF; 2016 | Single point | PBE | TZ2P | - | |||
| 29-Jan-2024 | Hf_TS3_2O | Garay Ruiz, Diego | ADF; | Transition state | PBE | TZ2P | - | |||
| 29-Jan-2024 | Mo_TS2 | Garay Ruiz, Diego | ADF; 2016 | Transition state | PBE | TZ2P | - | |||
| 29-Jan-2024 | Mo_TS3 | Garay Ruiz, Diego | ADF; 2016 | Single point | PBE | TZ2P | - |
Results 1-10 of 148 (Search time: 0.002 seconds).
Discover
Subject
- 148 hafnium
- 148 molybdenum
- 148 niobium
- 148 Sulfoxidation
- 148 titanium
- 148 transition metal catalysis
- 148 Transition metals
- 148 tungsten
- 148 vanadium
- 148 zirconium
- next >