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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
24-Jul-2020 | H2Mo6O20 | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | ||||
24-Jul-2020 | Mo7O24 | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | ||||
24-Jul-2020 | HMo8O26 | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | ||||
24-Jul-2020 | H5O2 | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | ||||
24-Jul-2020 | Mo_2OH_2H2O_watercluster | Petrus, Enric | ADF; 2019 | Single point | PBE | TZP | - | ||||
24-Jul-2020 | Mo_2OH_2H2O | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | ||||
24-Jul-2020 | Mo4O13 | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | ||||
24-Jul-2020 | HMoO4 | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | ||||
24-Jul-2020 | H2Mo2O7 | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | ||||
24-Jul-2020 | HMo5O16 | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - |
Results 21-30 of 842 (Search time: 0.003 seconds).