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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 25-Sep-2023 | 2a-opt | Phung, Quan | Orca; 5.0.4; RELEASE | Geometry optimization | DFT | DEF2-SVP; def2-TZVP | -10444.13735624; Eh | |||
 | 25-Sep-2023 | 2c-opt | Phung, Quan | Orca; 5.0.4; RELEASE | Geometry optimization | DFT | DEF2-SVP; def2-TZVP | -12030.20470998; Eh | |||
 | 25-Sep-2023 | 2b-opt | Phung, Quan | Orca; 5.0.4; RELEASE | Geometry optimization | DFT | DEF2-SVP; def2-TZVP | -12274.23892767; Eh |
Results 1-3 of 3 (Search time: 0.002 seconds).
Discover
Program name
- 3 Orca
Calculation type