Search
Add filters:
Use filters to refine the search results.
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
29-Jul-2021 | V04O13_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -5.83822736; Eh | ||||
29-Jul-2021 | V06O19_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -8.40712692; Eh | ||||
29-Jul-2021 | V02O7_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.19333763; Eh | ||||
29-Jul-2021 | V03O09_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.97406848; Eh | ||||
29-Jul-2021 | V03O09_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.99391814; Eh | ||||
29-Jul-2021 | V05O14_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -6.06931977; Eh | ||||
29-Jul-2021 | V01O4_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.85877485; Eh | ||||
29-Jul-2021 | V01O4_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.83716855; Eh | ||||
29-Jul-2021 | Ta7O22_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -10.44680634; Eh | ||||
29-Jul-2021 | Ta10O28_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -13.29731154; Eh |
Results 351-360 of 368 (Search time: 0.002 seconds).