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. |
---|---|---|---|---|---|---|---|---|---|---|---|
20-Apr-2016 | /[Mn(Cor)(NTs)] Triplet | Alcover, Gerard | TURBOMOLE; 6.4 | Restricted geometry optimization | U-DFT | def2-TZVP | -2975.959964426; Eh | ||||
20-Apr-2016 | /[Mn(Cor)(NTs)] Singlet | Alcover, Gerard | TURBOMOLE; 6.4 | Restricted geometry optimization | DFT | def2-TZVP | -2975.970596016; Eh |
Results 1-2 of 2 (Search time: 0.0 seconds).