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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
24-Jul-2020 | Mo6O20_0H_PBE0 | Petrus, Enric | ADF; 2019 | Frequencies | PBE0 == Not Default == | TZP | - | ||||
24-Jul-2020 | Mo7O23_0H_PBE0 | Petrus, Enric | ADF; 2019 | Frequencies | PBE0 == Not Default == | TZP | - | ||||
24-Jul-2020 | Mo5O17_0H_PBE0 | Petrus, Enric | ADF; 2019 | Frequencies | PBE0 == Not Default == | TZP | - | ||||
24-Jul-2020 | Mo5O16_0H_PBE0 | Petrus, Enric | ADF; 2019 | Frequencies | PBE0 == Not Default == | TZP | - | ||||
24-Jul-2020 | Mo6O20_1H_PBE0 | Petrus, Enric | ADF; 2019 | Frequencies | PBE0 == Not Default == | TZP | - | ||||
24-Jul-2020 | Mo5O17_1H_PBE0 | Petrus, Enric | ADF; 2019 | Frequencies | PBE0 == Not Default == | TZP | - | ||||
24-Jul-2020 | Mo5O16_2H_PBE0 | Petrus, Enric | ADF; 2019 | Frequencies | PBE0 == Not Default == | TZP | - | ||||
24-Jul-2020 | Mo5O16_1H_PBE0 | Petrus, Enric | ADF; 2019 | Frequencies | PBE0 == Not Default == | TZP | - | ||||
24-Jul-2020 | Mo7O24_0H_PBE0 | Petrus, Enric | ADF; 2019 | Frequencies | PBE0 == Not Default == | TZP | - | ||||
24-Jul-2020 | Mo8O26_0H_PBE0 | Petrus, Enric | ADF; 2019 | Frequencies | PBE0 == Not Default == | TZP | - |
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