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. |
---|---|---|---|---|---|---|---|---|---|---|---|
29-Sep-2017 | TSmajor_c_phenyl | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | ONIOM; wB97XD; UFF | lanl2dz; 6-31+g(d) | -3829.51665934; Eh | ||||
29-Sep-2017 | TSPA | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RwB97XD | lanl2dz; 6-31+g(d) | -2856.21677656; Eh | ||||
29-Sep-2017 | TSmajor_Me | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UwB97XD | lanl2dz; 6-31+g(d) | -3947.49754039; Eh | ||||
17-Jan-2019 | /L2 TS1d-e | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UB3LYP | 6-31+G* | -1410.03010161; Eh |
Results 11-14 of 14 (Search time: 0.002 seconds).
Discover
Subject
Program name
- 14 Gaussian