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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
21-Jun-2022 | H6O3 | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.60108722; Eh | ||||
29-Jul-2021 | V10O28_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -12.24202860; Eh | ||||
29-Jul-2021 | V10O28_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -12.25198374; Eh | ||||
29-Jul-2021 | Nb4O12_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -5.59811846; Eh | ||||
29-Jul-2021 | Nb5O14_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -6.49207788; Eh | ||||
29-Jul-2021 | Nb5O14_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -6.50709790; Eh | ||||
29-Jul-2021 | NbO4_3H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.91474693; Eh | ||||
29-Jul-2021 | Nb4O12_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -5.59479004; Eh | ||||
29-Jul-2021 | NbO5_4H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -2.45468400; Eh | ||||
29-Jul-2021 | NbO4_4H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.86224607; Eh |
Results 341-350 of 368 (Search time: 0.002 seconds).