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_Chem_shifts_calc_type.Quantum_mechanical_theory_level

DescriptionThe quantum mechanical level of theory used to calculate the chemical shifts or chemical shift tensors (not shielding tensors).
Details:
Parent saveframechem_shifts_calc_type
Data typeline
Common valuesB3LYP
MP2
 
 
DB tableChem_shifts_calc_type
DB columnQuantum_mechanical_theory_level
DB typeVARCHAR(127)
NULL allowedyes
 
ADIT-NMR deposition system promptQuantum mechanical theory level