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 | V_Int3_Lig | Garay Ruiz, Diego | ADF; 2016 | Geometry optimization | PBE | TZ2P | - | |||
| 29-Jan-2024 | V_Int4_Lig | Garay Ruiz, Diego | ADF; 2016 | Geometry optimization | PBE | TZ2P | - | |||
| 29-Jan-2024 | V_Int5_Lig | Garay Ruiz, Diego | ADF; 2016 | Geometry optimization | PBE | TZ2P | - | |||
| 29-Jan-2024 | V_Int2_Lig | Garay Ruiz, Diego | ADF; 2016 | Geometry optimization | PBE | TZ2P | - | |||
| 29-Jan-2024 | V_TS3_Lig | Garay Ruiz, Diego | ADF; 2016 | Single point | PBE | TZ2P | - | |||
| 29-Jan-2024 | V_Int0 | Garay Ruiz, Diego | ADF; 2016 | Geometry optimization | PBE | TZ2P | - | |||
| 29-Jan-2024 | V_TS1_Lig | Garay Ruiz, Diego | ADF; 2016 | Transition state | PBE | TZ2P | - | |||
| 29-Jan-2024 | V_Int1 | Garay Ruiz, Diego | ADF; 2016 | Single point | PBE | TZ2P | - | |||
| 29-Jan-2024 | V_Int1_A | Garay Ruiz, Diego | ADF; | Single point | PBE | TZ2P | - |
Results 211-219 of 219 (Search time: 0.002 seconds).
Discover
Subject
- 219 DFT
- 219 hafnium
- 219 transition metal catalysis
- 148 molybdenum
- 148 niobium
- 148 Sulfoxidation
- 148 tantalum
- 148 Transition metals
- 148 tungsten
- 148 vanadium
- next >