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. |
---|---|---|---|---|---|---|---|---|---|---|---|
9-Sep-2024 | /Mec_Figure-S10_S2-triplet s2-2-ts1n | Nuñez, Gonzalo | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | UwB97XD | 6-31G(D,P) GEN | -1217.86175039; Eh | ||||
9-Sep-2024 | /Mec_Figure-S10_S2-triplet s2-2-ts1o | Nuñez, Gonzalo | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | UwB97XD | 6-31G(D,P) GEN | -1217.87767244; Eh | ||||
9-Sep-2024 | /Mec_Figure-S10_S2-triplet s2-2-ts2o | Nuñez, Gonzalo | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | UwB97XD | 6-31G(D,P) GEN | -1217.87784590; Eh | ||||
9-Sep-2024 | /Mec_Figure-S9_S8-triplet s8-triplet-TS1o | Nuñez, Gonzalo | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | UwB97XD | 6-31G(D,P) GEN | -3606.90096380; Eh |
Results 1-4 of 4 (Search time: 0.0 seconds).
Discover
Program name
- 4 Gaussian