Computational 199 Hg NMR.

Irina L Rusakova Yuriy Yu Rusakov Leonid B Kridvin

Published in: Magnetic resonance in chemistry : MRC (2022)

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.

Keyphrases

room temperature
density functional theory
single molecule
magnetic resonance
high resolution
ionic liquid
transition metal
solid state
fluorescent probe
molecular dynamics