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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
29-Jul-2021 | Ta6O19_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -9.01670878; Eh | ||||
29-Jul-2021 | Ta2O7_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.28872224; Eh | ||||
29-Jul-2021 | TaO4_4H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.88192986; Eh | ||||
29-Jul-2021 | Nb10O28_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -13.10047714; Eh | ||||
29-Jul-2021 | Nb16O49_7H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -23.15558296; Eh | ||||
29-Jul-2021 | Nb6O19_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -8.99111772; Eh | ||||
29-Jul-2021 | Nb9O27_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -12.72478786; Eh | ||||
29-Jul-2021 | Nb5O16_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -7.52311255; Eh | ||||
29-Jul-2021 | Nb6O19_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -8.95366299; Eh | ||||
29-Jul-2021 | Nb5O16_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -7.44426849; Eh |
Results 1-10 of 127 (Search time: 0.001 seconds).