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/W4O13_2H W4O13_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -5.54483989; Eh | |||
 | 2-Mar-2021 | /Tungsten/W1O4_1H W1O4_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.80181827; Eh | |||
 | 2-Mar-2021 | /Tungsten/W1O6_7H W1O6_7H | Petrus, Enric | ADF; 2019 | Single point | PBE | TZP | - | |||
 | 2-Mar-2021 | /Tungsten/W1O4_2H W1O4_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.77731672; Eh | |||
 | 2-Mar-2021 | /Tungsten/W10O32_0H W10O32_0H | Petrus, Enric | ADF; 2019 | Single point | PBE | TZP | - | |||
 | 2-Mar-2021 | /Tungsten/W10O32_1H W10O32_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -13.82667080; 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_0H W11O40_0H | Petrus, Enric | ADF; 2019 | Single point | PBE | TZP | - |
Results 21-30 of 124 (Search time: 0.001 seconds).