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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
29-Jul-2021 | Nb9O27_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -12.63142418; Eh | ||||
29-Jul-2021 | Nb8O25_3H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | ||||
29-Jul-2021 | Ta10O28_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -13.27735671; Eh | ||||
29-Jul-2021 | V06O19_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -8.26597188; Eh | ||||
29-Jul-2021 | V07O21_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -9.30158028; Eh |
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