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 | TS4antireB_sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RB97D | - | -2679.0083938; Eh | |||
![]() | 2-May-2019 | cat7_TS4synsi | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB97D | - | -2370.59949309; Eh | |||
![]() | 2-May-2019 | TS4antireA | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB97D | - | -2678.82754646; 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_TS4synsiB_sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RB97D | - | -1935.5465045; Eh | |||
![]() | 2-May-2019 | cat8_TS4synsiB | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB97D | - | -1935.38164648; Eh | |||
![]() | 2-May-2019 | cat8_TS4antireB | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB97D | - | -1935.39128569; Eh | |||
![]() | 2-May-2019 | cat8_TS4synsiA_sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RB97D | - | -1935.5476735; Eh |
Results 41-48 of 48 (Search time: 0.001 seconds).
Discover
Program name
- 48 Gaussian
Calculation type