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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
27-Jul-2021 | V01O5_6H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -2.32619358; Eh | ||||
27-Jul-2021 | V06O18_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -7.99008397; Eh | ||||
27-Jul-2021 | V9O27_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -11.96987978; Eh | ||||
27-Jul-2021 | V9O27_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -11.95931517; Eh | ||||
27-Jul-2021 | V8O24_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -10.63347936; Eh | ||||
27-Jul-2021 | V7O21_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -9.31090444; Eh | ||||
27-Jul-2021 | V02O7_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.17552399; Eh | ||||
27-Jul-2021 | V02O7_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.13586289; Eh | ||||
27-Jul-2021 | V9O27_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -11.95538142; Eh | ||||
27-Jul-2021 | Nb05O14_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -6.49207788; Eh |
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