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 | /Molybdenum/Mo7O24_2H Mo7O24_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | ||||
2-Mar-2021 | /Molybdenum/Mo7O24_1H Mo7O24_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | ||||
2-Mar-2021 | /Water/H3O H3O | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | ||||
2-Mar-2021 | /Tungsten/W6O20_1H W6O20_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -8.70723752; Eh | ||||
2-Mar-2021 | /Tungsten/W12O40_2H_a W12O40_2H_a | 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_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/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 |
Results 91-100 of 124 (Search time: 0.001 seconds).