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. |
---|---|---|---|---|---|---|---|---|---|---|---|
12-Dec-2016 | /Al6Cr6_models/Cr3_2_1 Cr3_2_1e | Bandeira, Nuno | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -21.33862339; Eh | ||||
12-Dec-2016 | /Al6Cr6_models/Cr3_2_1 Cr3_2_1 | Bandeira, Nuno | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -21.33824358; Eh | ||||
12-Dec-2016 | /Al6Cr6_models/Cr3_2_1 Cr3_2_1d | Bandeira, Nuno | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -21.33799241; Eh | ||||
12-Dec-2016 | /Al6Cr6_models/Cr3_2_1 Cr3_2_1f | Bandeira, Nuno | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -21.33841881; Eh | ||||
12-Dec-2016 | /Al6Cr6_models/Cr3_2_1 Cr3_2_1c | Bandeira, Nuno | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -21.33799241; Eh | ||||
12-Dec-2016 | /Al6Cr6_models/Cr3_2_1 Cr3_2_1b | Bandeira, Nuno | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -21.33991839; Eh | ||||
12-Dec-2016 | /Al6Cr6_models/Cr2_3_1 Cr2_3_1c | Bandeira, Nuno | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -21.33726434; Eh | ||||
12-Dec-2016 | /Al6Cr6_models/Cr2_3_1 Cr2_3_1a | Bandeira, Nuno | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -21.33753091; Eh | ||||
12-Dec-2016 | /Al6Cr6_models/Cr0_1_5 Cr0_1_5 | Bandeira, Nuno | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -21.32094304; Eh | ||||
12-Dec-2016 | /Al6Cr6_models/Cr3_1_2 Cr3_1_2 | Bandeira, Nuno | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -21.33497243; Eh |
Results 1-10 of 25 (Search time: 0.001 seconds).