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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 2-Mar-2021 | /Tungsten/W11O40_1H W11O40_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -17.49342009; Eh | |||
 | 2-Mar-2021 | /Tungsten/W12O42_1H W12O42_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -18.41307025; Eh | |||
 | 2-Mar-2021 | /Tungsten/W2O7_2H W2O7_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.02980293; Eh | |||
 | 2-Mar-2021 | /Tungsten/W12O40_1H_a W12O40_1H_a | Petrus, Enric | ADF; 2019 | Single point | PBE | TZP | - | |||
 | 2-Mar-2021 | /Tungsten/W12O40_0H_a W12O40_0H_a | Petrus, Enric | ADF; 2019 | Single point | PBE | TZP | - | |||
 | 2-Mar-2021 | /Tungsten/W12O42_2H W12O42_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -18.47941202; Eh | |||
 | 2-Mar-2021 | /Tungsten/W6O22_0H W6O22_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -9.67521142; Eh | |||
 | 2-Mar-2021 | /Tungsten/W6O22_2H W6O22_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -9.77334841; Eh | |||
 | 2-Mar-2021 | /Tungsten/W3O11_0H W3O11_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -4.87429787; Eh | |||
 | 2-Mar-2021 | /Tungsten/W3O11_1H W3O11_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -4.90060731; Eh |
Results 31-40 of 124 (Search time: 0.001 seconds).
Discover
Program name
- 124 ADF
Calculation type