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. |
---|---|---|---|---|---|---|---|---|---|---|---|
22-Oct-2020 | TS-2-prime | Jamieson, Cooper | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | 6-31G(D) | -1479.35671650; Eh | ||||
22-Oct-2020 | TS-2 | Jamieson, Cooper | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | 6-31G(D) | -1479.36500391; Eh | ||||
22-Oct-2020 | TS-1-prime | Jamieson, Cooper | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | 6-31G(D) | -1479.35671650; Eh | ||||
22-Oct-2020 | TS-1 | Jamieson, Cooper | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | 6-31G(D) | -1479.36208495; Eh |
Results 1-4 of 4 (Search time: 0.001 seconds).