_Chem_shifts_calc_type.Quantum_mechanical_theory_level
| Description | The quantum mechanical level of theory used to calculate the chemical shifts or chemical shift tensors (not shielding tensors). |
| Details: | |
| Parent saveframe | chem_shifts_calc_type |
| Data type | line |
| Common values | B3LYP MP2 |
| DB table | Chem_shifts_calc_type |
| DB column | Quantum_mechanical_theory_level |
| DB type | VARCHAR(127) |
| NULL allowed | yes |
| ADIT-NMR deposition system prompt | Quantum mechanical theory level |