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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Sep-2023 | /method_selection/UVVis azapent_m06_uv_dichloromethane | Mayer, Péter | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM062X; TD-FC | 6-311+G(D,P) | -592.3201301; Eh | |||
 | 2-Oct-2023 | /functional_selection/energy_calc s1_energy_m062x_3f | Mayer, Péter | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM062X; TD-FC | GEN | -1359.6632485; Eh | |||
 | 2-Oct-2023 | /functional_selection/energy_calc s1_energy_m062x_3j | Mayer, Péter | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM062X; TD-FC | GEN | -1462.3428165; Eh | |||
 | 2-Oct-2023 | /functional_selection/energy_calc s1_energy_m062x_3h | Mayer, Péter | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM062X; TD-FC | GEN | -1588.7175388; Eh | |||
 | 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_m062x_3a | Mayer, Péter | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM062X; TD-FC | GEN | -1155.1439916; Eh |
Results 1-6 of 6 (Search time: 0.001 seconds).