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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Sep-2023 | Constrained_optimisation_of_TS(RS35) | Novotny, Jan | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Structure | RM062X | GEN | -645.989574692; Eh | |||
| 1-Sep-2023 | Constrained_optimisation_of_PS | Novotny, Jan | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Structure | RM062X | GEN | -646.064414801; Eh |
Results 1-2 of 2 (Search time: 0.001 seconds).
Discover
Program name
- 2 Gaussian