We present here a review of currently available methods for the calculation of indirect
nuclear spin–spin coupling constants, discussing some of the questions and difficulties …

Our aim is to examine the recent experimental and theoretical research involving the nuclear
spin–spin coupling tensor, the indirect coupling mediated by the electronic structure, JMN …

A fully analytical implementation of the nuclear magnetic resonance NMR indirect nuclear
spin–spin coupling constants at the density-functional theory DFT level is presented. The …

Recent trends in theoretical calculations of indirect spin–spin coupling constants covering
the period of May 2003–July 2006 are outlined with the emphasis on the currently used …

At the present level of electronic-structure theory, the differences between calculated and
experimental indirect nuclear spin–spin coupling constants are typically as large as the …

The modern quantum chemical methods for calculating spin–spin coupling constants in
NMR spectra are reviewed. The theoretical basis of these methods and author's vision of the …

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 …

This review covers most recent advances in computation of 19 F NMR chemical shifts and
spin–spin coupling constants involving 19 F nucleus calculated at different levels of theory. It …

Equilibrium 1JOH and 2JHH coupling constants and their respective rovibrational
contributions have been calculated for water at the complete active space (CAS) and …

Abbreviations: ADF, Amsterdam density functional; AIM, atoms in molecules; AO, atomic
orbital; CAS, complete active space; CC, coupled clusters; CCSD, coupled cluster singles …