Data Item _chem_shifts_calc_type.quantum_mechanical_basis_set
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General 
- Item name
- _chem_shifts_calc_type.quantum_mechanical_basis_set
- Category name
- chem_shifts_calc_type
- Attribute name
- quantum_mechanical_basis_set
- Required in PDB entries
- no
- Used in currrent PDB entries
- No
Item Description
The quantum mechanical basis set used to calculate the theoretical chemical
shifts or chemical shift tensors (not shielding tensors).
Item Example
6-311++G(2D,2P)
Data Type 
- Data type code
- line
- Data type detail
- char item types / multi-word items ...
- Primitive data type code
- char
- Regular expression
- [][ \t_(),.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*