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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
15-May-2020 | MoO3_3H2O_watercluster | Petrus, Enric | ADF; 2019 | Single point | PBE | TZP | - | ||||
15-May-2020 | Mo_2OH_2H2O_watercluster | Petrus, Enric | ADF; 2019 | Single point | PBE | TZP | - | ||||
15-May-2020 | H2MoO4_watercluster | Petrus, Enric | ADF; 2019 | Single point | PBE | TZP | - | ||||
15-May-2020 | Mo_6OH_watercluster | Petrus, Enric | ADF; 2019 | Single point | PBE | TZP | - |
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