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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 21-Jun-2019 | /OO_O/isodesmic_pair/nbo2 nbo2 | Petrus, Enric | ADF; 2016 | Geometry optimization | PBE | TZP | - | |||
 | 21-Jun-2019 | /OO_O/isodesmic_pair/nbo nbo | Petrus, Enric | ADF; 2016 | Geometry optimization | PBE | TZP | - | |||
 | 21-Jun-2019 | /OO_O/3_oxyls/2iso 2iso | Petrus, Enric | ADF; 2016 | Geometry optimization | PBE | TZP | - | |||
 | 21-Jun-2019 | /OO_O/1_oxyls/2iso 2iso | Petrus, Enric | ADF; 2016 | Geometry optimization | PBE | TZP | - | |||
 | 21-Jun-2019 | /OO_O/2_oxyls/1iso 1iso | Petrus, Enric | ADF; 2016 | Geometry optimization | PBE | TZP | - | |||
 | 21-Jun-2019 | /OO_O/2_oxyls/3iso 3iso | Petrus, Enric | ADF; 2016 | Geometry optimization | PBE | TZP | - | |||
 | 21-Jun-2019 | /OO_O/3_oxyls/1iso 1iso | Petrus, Enric | ADF; 2016 | Geometry optimization | PBE | TZP | - | |||
 | 21-Jun-2019 | /OO_O/1_oxyls/1iso 1iso | Petrus, Enric | ADF; 2016 | Geometry optimization | PBE | TZP | - | |||
 | 21-Jun-2019 | /OO_O/2_oxyls/2iso 2iso | Petrus, Enric | ADF; 2016 | Geometry optimization | PBE | TZP | - | |||
 | 21-Jun-2019 | /OO_O/4_oxyls 4_oxyls | Petrus, Enric | ADF; 2016 | Geometry optimization | PBE | TZP | - |
Results 1-10 of 759 (Search time: 0.001 seconds).
Discover
Subject
- 596 Polyoxometalates
- 372 Niobium
- 372 Tantalum
- 372 Vanadium
- 100 niobium
- 100 tantalum
- 100 vanadium
- 27 Actinides
- 27 Hydrogen Evolution Reaction
- 27 Photochemistry
- next >
Program name
- 759 ADF
Calculation type