_Chem_shifts_calc_type.Calculation_level
Description | The level of theory applied in calculating theoretical chemical shifts or chemical shift tensors (not shielding tensors). |
Details: | |
Parent saveframe | chem_shifts_calc_type |
Data type | line |
Common values | ab initio empirical semi-empirical |
DB table | Chem_shifts_calc_type |
DB column | Calculation_level |
DB type | VARCHAR(127) |
NULL allowed | yes |
ADIT-NMR deposition system prompt | Calculation level |