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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
15-May-2020 | H2Mo2O7 | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | ||||
15-May-2020 | Mo3O10 | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | ||||
15-May-2020 | HMo2O7 | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | ||||
15-May-2020 | Mo2O7 | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | ||||
15-May-2020 | HMo3O10 | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | ||||
15-May-2020 | H2Mo3O10 | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | ||||
15-May-2020 | HMo4O13 | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | ||||
15-May-2020 | Mo4O13 | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | ||||
15-May-2020 | H2Mo4O13 | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | ||||
15-May-2020 | HMo5O16 | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - |
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