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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Jul-2020 | H2Mo5O17 | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | |||
 | 24-Jul-2020 | Mo7O23_2H_BP | Petrus, Enric | ADF; 2019 | Geometry optimization | BP86 | TZP | -9.21515536; Eh | |||
 | 24-Jul-2020 | Mo7O24_0H_BP | Petrus, Enric | ADF; 2019 | Geometry optimization | BP86 | TZP | -9.81590076; Eh | |||
 | 24-Jul-2020 | Mo7O23 | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | |||
 | 24-Jul-2020 | Mo7O24_1H_BP | Petrus, Enric | ADF; 2019 | Geometry optimization | BP86 | TZP | -9.81526108; Eh | |||
 | 24-Jul-2020 | Mo8O26_0H_BP | Petrus, Enric | ADF; 2019 | Geometry optimization | BP86 | TZP | -10.46831636; Eh | |||
 | 24-Jul-2020 | Mo7O24_2H_BP | Petrus, Enric | ADF; 2019 | Geometry optimization | BP86 | TZP | -9.79581805; Eh | |||
 | 24-Jul-2020 | Mo3O10_2H_B3LYP | Petrus, Enric | ADF; 2019 | Frequencies | B3LYP | TZP | - | |||
 | 24-Jul-2020 | Mo2O7_2H_B3LYP | Petrus, Enric | ADF; 2019 | Frequencies | B3LYP | TZP | - | |||
 | 24-Jul-2020 | Mo2O7_1H_B3LYP | Petrus, Enric | ADF; 2019 | Frequencies | B3LYP | TZP | - |
Results 1-10 of 1221 (Search time: 0.002 seconds).