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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 2-Mar-2021 | /Molybdenum/MoO4_1H MoO4_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | |||
 | 2-Mar-2021 | /Tungsten/W1O6_8H W1O6_8H | Petrus, Enric | ADF; 2019 | Single point | PBE | TZP | - | |||
 | 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_17H Mo9O37_17H | 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/W3O10_0H W3O10_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -4.34186081; Eh | |||
 | 2-Mar-2021 | /Molybdenum/Mo9O38_18H Mo9O38_18H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - |
Results 31-40 of 124 (Search time: 0.001 seconds).