Search
Add filters:
Use filters to refine the search results.
- previous
- 1
- next
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
2-Oct-2023 | /functional_selection/energy_calc s1_energy_wb97xd_3h | Mayer, Péter | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RwB97XD; TD-FC | GEN | -1588.8084476; Eh | ||||
2-Oct-2023 | /functional_selection/energy_calc s1_energy_wb97xd_3j | Mayer, Péter | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RwB97XD; TD-FC | GEN | -1462.4149511; Eh | ||||
2-Oct-2023 | /functional_selection/energy_calc s1_energy_wb97xd_3f | Mayer, Péter | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RwB97XD; TD-FC | GEN | -1359.7370515; Eh | ||||
2-Oct-2023 | /functional_selection/energy_calc s1_energy_wb97xd_3b | Mayer, Péter | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RwB97XD; TD-FC | GEN | -1269.7441809; Eh | ||||
2-Oct-2023 | /functional_selection/energy_calc s1_energy_wb97xd_3a | Mayer, Péter | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RwB97XD; TD-FC | GEN | -1155.2101978; Eh |
Results 1-5 of 5 (Search time: 0.002 seconds).