Search
Add filters:
Use filters to refine the search results.
- previous
- 1
- next
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
5-Apr-2016 | /Chapter_4/PBE0_OPT Fe(qsal)2_IS_PBE0 | Saureu, Sergi | TURBOMOLE; 6.6 | Geometry optimization TS | U-DFT | def2-TZVP | -2864.258874143; Eh |
Results 1-1 of 1 (Search time: 0.0 seconds).
Discover
Program name