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/W6O20_2H W6O20_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -8.67219182; Eh | |||
 | 2-Mar-2021 | /Tungsten/W11O40_2H W11O40_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -17.59237349; Eh | |||
 | 2-Mar-2021 | /Tungsten/W1O6_6H W1O6_6H | Petrus, Enric | ADF; 2019 | Single point | PBE | TZP | - | |||
 | 2-Mar-2021 | /Tungsten/W4O13_2H W4O13_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -5.54483989; Eh | |||
 | 2-Mar-2021 | /Tungsten/W1O4_0H W1O4_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.79932939; Eh | |||
 | 2-Mar-2021 | /Tungsten/W1O4_1H W1O4_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.80181827; 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/W12O40_1H_a W12O40_1H_a | Petrus, Enric | ADF; 2019 | Single point | PBE | TZP | - | |||
 | 2-Mar-2021 | /Molybdenum/Mo5O17_2H Mo5O17_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - |
Results 11-20 of 124 (Search time: 0.002 seconds).