Computational 199 Hg NMR

Magn Reson Chem. 2022 Oct;60(10):929-953. doi: 10.1002/mrc.5296. Epub 2022 Jul 5.

Abstract

Theoretical background and fundamental results dealing with the computation of mercury chemical shifts and spin-spin coupling constants are reviewed with a special emphasis on their stereochemical behavior and applications.

Keywords: 199Hg NMR; ZORA; four-component relativistic calculations.

Publication types

  • Review

MeSH terms

  • Magnetic Resonance Imaging
  • Magnetic Resonance Spectroscopy / methods
  • Mercury*

Substances

  • Mercury