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. |
---|---|---|---|---|---|---|---|---|---|---|---|
2-May-2019 | cat8_TS4antireA | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB97D | - | -1935.39076685; Eh | ||||
2-May-2019 | cat10_TS4antire | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB97D | - | -1861.37078594; Eh | ||||
2-May-2019 | cat8_TS4antireB_sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RB97D | - | -1935.5504135; Eh | ||||
2-May-2019 | cat8_TS4synsiA_sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RB97D | - | -1935.5476735; Eh | ||||
11-Mar-2021 | TOL_metallocarbene7_BS2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31+G* 6-31G LANL2DZ GEN | -2196.31894013; Eh |
Results 121-125 of 125 (Search time: 0.002 seconds).
Discover
Program name
- 125 Gaussian
Calculation type