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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/W7O24_1H W7O24_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -10.54220033; Eh | ||||
2-Mar-2021 | /Tungsten/W12O42_0H W12O42_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -18.33332906; Eh | ||||
2-Mar-2021 | /Tungsten/W7O24_0H W7O24_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -10.54030015; Eh | ||||
2-Mar-2021 | /Tungsten/W10O32_2H W10O32_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -13.77792086; Eh | ||||
2-Mar-2021 | /Tungsten/W10O32_1H W10O32_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -13.82667080; Eh | ||||
2-Mar-2021 | /Tungsten/W2O7_0H W2O7_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.08328152; Eh | ||||
2-Mar-2021 | /Tungsten/W12O42_2H W12O42_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -18.47941202; Eh | ||||
2-Mar-2021 | /Tungsten/W6O22_0H W6O22_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -9.67521142; Eh | ||||
2-Mar-2021 | /Molybdenum/Mo6O27_11H Mo6O27_11H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | ||||
2-Mar-2021 | /Molybdenum/Mo3O10_2H Mo3O10_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - |
Results 31-40 of 104 (Search time: 0.001 seconds).