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A new method for the calculation of NMR shielding tensors in the framework of density functional theory (DFT) is introduced, and results of shielding calculations are presented. The implementation is based on recent achievements in DFT, especially nonlocal exchange-correlation (XC) functionals, and on gauge-including atomic orbitals (GIAO). The calculated shielding constants and tensors are in good agreement with experiment and with other DFT-based methods. An explanation for the strong influence of the XC functional on the results is suggested.
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