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. |
---|---|---|---|---|---|---|---|---|---|---|---|
13-Apr-2023 | Alizarin_neutral_opt+freq | Berraud-Pache, Romain | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | DFT | def2-tzvp; def2-tzvp/C | -838.48395279; Eh |
Results 1-1 of 1 (Search time: 0.001 seconds).
Discover
Calculation type
Method
- 1 DFT