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_b3lyp_3a | Mayer, Péter | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RB3LYP; TD-FC | GEN | -1155.6225495; Eh | |||
 | 2-Oct-2023 | /functional_selection/energy_calc s1_energy_b3lyp_3b | Mayer, Péter | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RB3LYP; TD-FC | GEN | -1270.1917546; Eh | |||
 | 2-Oct-2023 | /functional_selection/energy_calc s1_energy_b3lyp_3h | Mayer, Péter | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RB3LYP; TD-FC | GEN | -1589.3583901; Eh | |||
 | 2-Oct-2023 | /functional_selection/energy_calc s1_energy_b3lyp_3j | Mayer, Péter | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RB3LYP; TD-FC | GEN | -1462.947589; Eh | |||
 | 2-Oct-2023 | /functional_selection/energy_calc s1_energy_b3lyp_3f | Mayer, Péter | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RB3LYP; TD-FC | GEN | -1360.2159832; Eh |
Results 1-5 of 5 (Search time: 0.001 seconds).
Discover
Subject