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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 27-Jul-2021 | V10O28_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -12.25198374; Eh | |||
![]() | 27-Jul-2021 | V8O24_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -10.64917997; Eh | |||
![]() | 27-Jul-2021 | V03O09_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.97406848; Eh | |||
![]() | 27-Jul-2021 | NbO4_3H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.91474693; Eh | |||
![]() | 27-Jul-2021 | V02O7_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.19333763; Eh | |||
![]() | 27-Jul-2021 | NbO3_3H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.20018597; Eh | |||
![]() | 27-Jul-2021 | NbO4_4H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.86224607; Eh | |||
![]() | 27-Jul-2021 | NbO5_4H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -2.45468400; Eh | |||
![]() | 27-Jul-2021 | Nb6O19_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -8.99111772; Eh | |||
![]() | 27-Jul-2021 | Nb7O22_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -10.27523790; Eh |
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