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| 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_m062x_3b | Mayer, Péter | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM062X; TD-FC | GEN | -1269.6694015; Eh | |||
 | 2-Oct-2023 | /functional_selection/energy_calc s1_energy_camb3lyp_3a | Mayer, Péter | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RCAM-B3LYP; TD-FC | GEN | -1154.9466408; Eh | |||
 | 2-Oct-2023 | /functional_selection/energy_calc s1_energy_m062x_3a | Mayer, Péter | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM062X; TD-FC | GEN | -1155.1439916; Eh |
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