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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
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 | ||||
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 | V03O10_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -4.52620409; Eh |
Results 551-560 of 1546 (Search time: 0.003 seconds).