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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 4-Sep-2020 | /manganocene sext_PBE0 | Mariusz, Radon | TURBOMOLE; 7.0.1( | Geometry optimization Minimum | U-DFT | def2-TZVP | -1537.560639471; Eh | |||
 | 4-Sep-2020 | /ruthenocene tripl_BP86_star | Mariusz, Radon | TURBOMOLE; 7.0.1 | Geometry optimization TS | U-DFT | def2-TZVP | -482.2352329071; Eh | |||
 | 4-Sep-2020 | /manganocene doubl_PBE0 | Mariusz, Radon | TURBOMOLE; 7.0.1( | Geometry optimization Minimum | U-DFT | def2-TZVP | -1537.546286777; Eh | |||
 | 4-Sep-2020 | /cobaltocenium tripl_BP86 | Mariusz, Radon | TURBOMOLE; 7.0.1 | Geometry optimization Minimum | U-DFT | def2-TZVP | -1770.026345937; Eh |
Results 11-14 of 14 (Search time: 0.001 seconds).