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 | cat9_TS4antireA_sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RB97D | - | -2601.6639433; Eh | |||
 | 2-May-2019 | cat5_TS4synsiB | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB97D | - | -2715.71374401; Eh | |||
 | 2-May-2019 | cat4_TS4antireA | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB97D | - | -2766.59152775; Eh | |||
 | 2-May-2019 | cat10_TS4synsi | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB97D | - | -1861.37034077; Eh | |||
 | 2-May-2019 | cat4_TS4synsiA_sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RB97D | - | -2766.7696582; Eh | |||
 | 2-May-2019 | cat10_TS4antire_sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RB97D | - | -1861.5212104; Eh | |||
 | 2-May-2019 | cat5_TS4synsiA | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB97D | - | -2715.71556638; Eh | |||
 | 2-May-2019 | TS4antireB_sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RB97D | - | -2679.0083938; Eh |
Results 41-48 of 48 (Search time: 0.001 seconds).
Discover
Program name
- 48 Gaussian
Calculation type