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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
27-Jul-2021 | V9O27_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -11.95538142; Eh | ||||
27-Jul-2021 | V02O7_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.13586289; Eh | ||||
27-Jul-2021 | H4O2 | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.06528563; Eh | ||||
27-Jul-2021 | V05O14_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -6.06931977; Eh | ||||
27-Jul-2021 | V10O28_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -12.24868049; Eh | ||||
27-Jul-2021 | Ta7O22_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -10.40665875; Eh | ||||
27-Jul-2021 | Ta6O19_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -9.01670878; Eh | ||||
27-Jul-2021 | V03O09_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.99664239; Eh | ||||
27-Jul-2021 | V03O09_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.99391814; Eh | ||||
27-Jul-2021 | V01O4_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.85877485; Eh |
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