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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Jul-2020 | Mo8O26_1H_PBE0 | Petrus, Enric | ADF; 2019 | Frequencies | PBE0 == Not Default == | TZP | - | |||
 | 24-Jul-2020 | Mo1O4_1H_BLYP | Petrus, Enric | ADF; 2019 | Geometry optimization | BLYP | TZP | -1.65433331; Eh | |||
 | 24-Jul-2020 | H3O_BLYP | Petrus, Enric | ADF; 2019 | Geometry optimization | BLYP | TZP | -0.44976179; Eh | |||
 | 24-Jul-2020 | Mo4O13_0H_BLYP | Petrus, Enric | ADF; 2019 | Geometry optimization | BLYP | TZP | -5.05554953; Eh | |||
 | 24-Jul-2020 | Mo7O24_2H_PBE0 | Petrus, Enric | ADF; 2019 | Frequencies | PBE0 == Not Default == | TZP | - | |||
 | 24-Jul-2020 | Mo5O16_0H_BLYP | Petrus, Enric | ADF; 2019 | Geometry optimization | BLYP | TZP | -6.13627574; Eh | |||
 | 24-Jul-2020 | 2H2O_BLYP | Petrus, Enric | ADF; 2019 | Geometry optimization | BLYP | TZP | -1.02900002; Eh | |||
 | 24-Jul-2020 | H5O2_BLYP | Petrus, Enric | ADF; 2019 | Geometry optimization | BLYP | TZP | -0.98457151; Eh | |||
 | 24-Jul-2020 | Mo7O23_1H_B3LYP | Petrus, Enric | ADF; 2019 | Frequencies | B3LYP | TZP | - | |||
 | 24-Jul-2020 | Mo7O24_1H_B3LYP | Petrus, Enric | ADF; 2019 | Frequencies | B3LYP | TZP | - |
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