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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-Sep-2023 | absty-ts3 | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | UPBE1PBE | 6-31+G(D,P) | -547.407545772; Eh | |||
 | 8-Sep-2023 | absty-ts1 | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | UPBE1PBE | 6-31+G(D,P) | -547.407411741; Eh | |||
 | 8-Sep-2023 | absty-ts2 | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | UPBE1PBE | 6-31+G(D,P) | -547.407403305; Eh |
Results 1-3 of 3 (Search time: 0.001 seconds).