_Chem_shifts_calc_type.Quantum_mechanical_method
Description | The method 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 | CSGT GIAO IGLO |
DB table | Chem_shifts_calc_type |
DB column | Quantum_mechanical_method |
DB type | VARCHAR(127) |
NULL allowed | yes |
ADIT-NMR deposition system prompt | Quantum mechanical method |