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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
27-Jul-2021 | Nb3O10_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -4.66671941; Eh | ||||
27-Jul-2021 | Nb2O7_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.29641571; Eh | ||||
27-Jul-2021 | Nb2O7_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.26661780; Eh | ||||
27-Jul-2021 | Nb8O25_4H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -11.82548484; Eh | ||||
27-Jul-2021 | Nb8O25_5H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -11.82975539; Eh | ||||
27-Jul-2021 | V10O28_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -12.24202860; Eh | ||||
27-Jul-2021 | V8O24_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -10.64917997; Eh | ||||
27-Jul-2021 | NbO4_3H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.91474693; Eh | ||||
27-Jul-2021 | Nb9O27_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -12.63142418; Eh | ||||
27-Jul-2021 | NbO3_3H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.20018597; Eh |
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- 373 Niobium
- 373 Polyoxometalates
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