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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/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 | - | ||||
2-Mar-2021 | /Molybdenum/Mo6O20_2H Mo6O20_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | ||||
2-Mar-2021 | /Molybdenum/Mo18O65_16H Mo18O65_16H | Petrus, Enric | ADF; 2019 | Single point | PBE | TZP | - | ||||
2-Mar-2021 | /Molybdenum/Mo3O10_1H Mo3O10_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | ||||
2-Mar-2021 | /Molybdenum/Mo5O16_1H Mo5O16_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | ||||
2-Mar-2021 | /Molybdenum/Mo5O17_2H Mo5O17_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | ||||
2-Mar-2021 | /Molybdenum/Mo1O6_6H Mo1O6_6H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - |
Results 41-50 of 124 (Search time: 0.001 seconds).