Valuable information about the local environment of the aluminum nucleus can be obtained
through 27 Al Nuclear Magnetic Resonance (NMR) parameters like the isotropic chemical …

The most recent results dealing with the computation of 13 C NMR chemical shifts in
chemistry (small molecules, saturated, unsaturated and aromatic compounds, heterocycles …

Spin–orbit coupling is responsible for many heavy‐atom effects on NMR chemical shifts, for
example, normal halogen dependence. A simple but general model for spin–orbit‐induced …

Quantum chemical methods for the calculation of indirect NMR spin–spin coupling constants
and chemical shifts are always in progress. They never stay the same due to permanently …

We present perturbational ab initio calculations of the leading-order one-electron relativistic
contributions to the nuclear magnetic resonance shielding tensor based on the Pauli …

This review represents a compendium of computational studies of relativistic effects on the
NMR chemical shifts of light nuclei caused by the presence of heavy main group p-block …

The nuclear magnetic resonance chemical shift is one of the most powerful properties
available for structure determination at the molecular level. A review of advances made in …

This is the first one of the three closely interrelated reviews to be published in Magnetic
Resonance in Chemistry dealing with accordingly theoretical background, chemical …

The first explicit study of both spin-orbit and electron correlation effects on NMR chemical
shifts has been carried out. It is shown by spin-orbit corrected DFT-IGLO calculations on the …

An accurate quantum chemical (QC) modeling of 77Se and 125Te nuclear magnetic
resonance (NMR) spectra is deeply involved in the NMR structural assignment for selenium …