This is the first part of two closely interrelated reviews dealing with the computation of 31 P NMR chemical shifts in a wide series of organophosphorus compounds including complexes, clusters, and bioorganic phosphorus compounds. In particular, the analysis of the accuracy factors, such as substitution effects, solvent effects, vibrational corrections, and relativistic effects, is thoroughly discussed.

The second part of two interrelated reviews deals with the computation of 31 P NMR spin-spin coupling constants in the diverse phosphorous containing compounds concentrating on their stereochemical dependencies and stereodynamic behavior in the particular classes of organophosphorus compounds.