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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Mar-2023 | 8-chloro-2-methylquinoline_H2O_2_ACN_0_a_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1054.54964468; Eh | |||
 | 7-Mar-2023 | 8-chloro-2-methylquinoline_H2O_1_ACN_0_a_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -978.05436150; Eh | |||
 | 7-Mar-2023 | 8-chloro-2-methylquinoline_H2O_0_ACN_1_x_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1034.42779124; Eh | |||
 | 7-Mar-2023 | 8-chloro-2-methylquinoline_H2O_0_ACN_1_w_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1034.42789379; Eh |
Results 41-44 of 44 (Search time: 0.001 seconds).
Discover
Program name
- 44 Orca