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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Mar-2023 | TS-T1-1a_perpend_crest_conf_1 | Alegre Requena, Juan Vicente | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UwB97XD | 6-31+G(D) | -898.633323221; Eh | |||
 | 19-Mar-2023 | TS-T1-4_planar_crest_conf_1 | Alegre Requena, Juan Vicente | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UwB97XD | 6-31+G(D) | -860.548692226; Eh |
Results 1-2 of 2 (Search time: 0.002 seconds).