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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 2-Mar-2021 | /Tungsten/W4O13_0H W4O13_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -5.62923193; Eh | |||
 | 2-Mar-2021 | /Tungsten/W5O17_2H W5O17_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -7.42489847; Eh | |||
 | 2-Mar-2021 | /Molybdenum/Mo9O37_18H Mo9O37_18H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | |||
 | 2-Mar-2021 | /Molybdenum/Mo9O37_19H Mo9O37_19H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | |||
 | 2-Mar-2021 | /Molybdenum/Mo7O31_12H Mo7O31_12H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | |||
 | 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/W4O13_2H W4O13_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -5.54483989; Eh |
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- 104 Polyoxometalates
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- 104 ADF