Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 15-Oct-2018 | TS1_2 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UB3LYP | 6-31+g(d) | -1362.23116256; Eh | |||
 | 15-Oct-2018 | TS2_6 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UB3LYP | 6-31+g(d) | -1362.20918379; Eh | |||
 | 15-Oct-2018 | TS2_4 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UB3LYP | 6-31+g(d) | -1362.20939174; Eh | |||
 | 15-Oct-2018 | TS2_2 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UB3LYP | 6-31+g(d) | -1362.21427230; Eh |
Results 11-14 of 14 (Search time: 0.001 seconds).
Discover
Program name
- 14 Gaussian