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/W1O4_2H W1O4_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.77731672; Eh | |||
 | 2-Mar-2021 | /Tungsten/W2O7_0H W2O7_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.08328152; Eh | |||
 | 2-Mar-2021 | /Tungsten/W10O32_2H W10O32_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -13.77792086; Eh | |||
 | 2-Mar-2021 | /Tungsten/W2O7_1H W2O7_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.06055492; Eh | |||
 | 2-Mar-2021 | /Tungsten/W11O40_1H W11O40_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -17.49342009; Eh | |||
 | 2-Mar-2021 | /Tungsten/W2O7_2H W2O7_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.02980293; Eh | |||
 | 2-Mar-2021 | /Tungsten/W12O42_2H W12O42_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -18.47941202; Eh | |||
 | 2-Mar-2021 | /Tungsten/W12O42_1H W12O42_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -18.41307025; Eh | |||
 | 2-Mar-2021 | /Tungsten/W6O22_2H W6O22_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -9.77334841; Eh | |||
 | 2-Mar-2021 | /Tungsten/W6O22_0H W6O22_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -9.67521142; Eh |
Results 21-30 of 104 (Search time: 0.001 seconds).
Discover
Subject
- 104 Polyoxometalates
Program name
- 104 ADF