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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/W1O4_0H W1O4_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.79932939; Eh | ||||
2-Mar-2021 | /Molybdenum/Mo1O6_7H Mo1O6_7H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | ||||
2-Mar-2021 | /Molybdenum/Mo7O23_1H Mo7O23_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | ||||
2-Mar-2021 | /Molybdenum/Mo4O13_1H Mo4O13_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | ||||
2-Mar-2021 | /Molybdenum/Mo7O23_0H Mo7O23_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | ||||
2-Mar-2021 | /Molybdenum/Mo5O22_7H Mo5O22_7H | Petrus, Enric | ADF; 2019 | Single point | PBE | TZP | - | ||||
2-Mar-2021 | /Molybdenum/Mo36O128_34H Mo36O128_34H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | ||||
2-Mar-2021 | /Tungsten/W3O10_1H W3O10_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -4.31327507; Eh | ||||
2-Mar-2021 | /Molybdenum/Mo9O37_14H Mo9O37_14H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | ||||
2-Mar-2021 | /Molybdenum/MoO4_1H MoO4_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - |
Results 11-20 of 124 (Search time: 0.002 seconds).