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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
27-Jul-2021 | Ta6O19_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -9.06970353; Eh | ||||
27-Jul-2021 | Ta2O7_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.34143609; Eh | ||||
27-Jul-2021 | Ta2O7_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.31690361; Eh | ||||
27-Jul-2021 | Ta2O7_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.28872224; Eh | ||||
27-Jul-2021 | TaO4_4H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.88192986; Eh | ||||
27-Jul-2021 | Ta8O25_5H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -11.95701536; Eh | ||||
27-Jul-2021 | Ta6O19_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -9.10238155; Eh | ||||
27-Jul-2021 | Ta8O25_4H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -11.95911228; Eh | ||||
27-Jul-2021 | Ta10O28_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -13.27735671; Eh | ||||
27-Jul-2021 | H5O2 | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.02823881; Eh |
Results 91-100 of 100 (Search time: 0.002 seconds).