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Relativistic effects on group-12 metal nuclear shieldings

Juho Roukala1, Alejandro F Maldonado, Juha Vaara

  • 1NMR Research Group, Department of Physics, University of Oulu, P.O. Box 3000, FIN-90014, Finland.

Physical Chemistry Chemical Physics : PCCP
|October 21, 2011
PubMed
Summary

Breit-Pauli perturbation theory (BPPT) accurately calculates relativistic effects on nuclear magnetic shielding for heavy elements like mercury. This method is efficient for predicting chemical shifts in heavy-element systems.

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