Int. J. Mol. Sci. 4, 64-92 (2003)

DOI: 10.3390/i4030064

Review on DFT and ab initio Calculations of Scalar Coupling Constants

The present review summarizes the information available on the ab initio calculations of spin-spin nuclear coupling constants through hydrogen bonds or in van der Waals complexes. It also reports the sources of experimental data on nhJXY scalar couplings.