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_5/TD-DFT (SCH3)Fe(IV)O(Porph)_LS_CAM-B3LYP | Saureu, Sergi | Orca; 3.0.1; RELEASE | Single point | UKS | def2-TZVP; def2-TZVP/J | - |
Results 1-1 of 1 (Search time: 0.001 seconds).
Discover
Program name
- 1 Orca
Calculation type