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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/W5O16_0H W5O16_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -6.86659771; Eh | |||
 | 2-Mar-2021 | /Molybdenum/Mo9O37_15H Mo9O37_15H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | |||
 | 2-Mar-2021 | /Molybdenum/Mo9O38_16H Mo9O38_16H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | |||
 | 2-Mar-2021 | /Molybdenum/Mo8O26_1H Mo8O26_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | |||
 | 2-Mar-2021 | /Molybdenum/Mo8O26_0H Mo8O26_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | |||
 | 2-Mar-2021 | /Tungsten/W5O17_1H W5O17_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -7.44400900; Eh | |||
 | 2-Mar-2021 | /Tungsten/W6O20_0H W6O20_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -8.72674738; Eh | |||
 | 2-Mar-2021 | /Tungsten/W11O40_2H W11O40_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -17.59237349; Eh | |||
 | 2-Mar-2021 | /Tungsten/W1O4_2H W1O4_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.77731672; Eh | |||
 | 2-Mar-2021 | /Tungsten/W12O42_1H W12O42_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -18.41307025; Eh |
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- 104 Polyoxometalates
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- 104 ADF