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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/Mo5O17_0H Mo5O17_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | ||||
2-Mar-2021 | /Molybdenum/Mo4O13_2H Mo4O13_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | ||||
2-Mar-2021 | /Molybdenum/Mo5O22_8H Mo5O22_8H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | ||||
2-Mar-2021 | /Molybdenum/Mo1O6_8H Mo1O6_8H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | ||||
2-Mar-2021 | /Tungsten/W04O15_1H W04O15_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -6.66334591; Eh | ||||
2-Mar-2021 | /Tungsten/W04O15_0H W04O15_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -6.61835166; Eh | ||||
2-Mar-2021 | /Molybdenum/Mo36O128_32H Mo36O128_32H | Petrus, Enric | ADF; 2019 | Single point | PBE | TZP | - | ||||
2-Mar-2021 | /Molybdenum/MoO4_2H MoO4_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | ||||
2-Mar-2021 | /Molybdenum/Mo9O38_14H Mo9O38_14H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | ||||
2-Mar-2021 | /Molybdenum/Mo9O38_15H Mo9O38_15H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - |
Results 111-120 of 124 (Search time: 0.002 seconds).