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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
27-Jul-2021 | V06O18_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -8.00810536; Eh | ||||
27-Jul-2021 | V05O15_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -6.67007844; Eh | ||||
27-Jul-2021 | V05O15_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -6.66300052; Eh | ||||
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 | V6O19_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -8.40712692; Eh | ||||
27-Jul-2021 | V7O21_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -9.31090444; Eh | ||||
27-Jul-2021 | V7O21_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -9.30158028; Eh | ||||
27-Jul-2021 | Nb7O22_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -10.32369093; Eh | ||||
27-Jul-2021 | Nb7O22_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -10.35533864; Eh |
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