NMR of Transition Metal Compounds

Kaupp, M., Malkin, V. G., Malkina, O. L., 1998, NMR of Transition Metal Compounds , in Encyclopedia of Computational Chemistry, Schleyer, P. v. R. (Editor-in-Chief), Wiley, Chichester. 

In the past years density functional theory (DFT) has become popular and a cheap means to simulate correlation effects. DFT has also successfully been applied to chemical shift calculations as DFT-IGLO, or simple-minded uncoupled DFT, although fundamental questions of a DFT of magnetic properties have not yet been fully understood (see NMR of Transition Metal Compounds). 

Relativistic effects on chemical shifts have only recently been studied in a quantitative way, although there has been no doubt that in some cases relativistic effects are very large and that relativity is responsible for the bulk of the so-called heavy atom effect (see NMR of Transition Metal Compounds). 

Atoms in Molecules NMR Chemical Shift Computation Structural Applications NMR of Transition Metal Compounds. 

Density Functional Applications Density Functional Theory (DFT), Hartree-Fock (HF), and the Self-consistent Field NMR Chemical Shift Computation Ab Initio NMR Data Correlation with Chemical Structure NMR of Transition Metal Compounds. 

Density Functional Theory Applications to Transition Metal Problems Hybrid Methods MNDO/d NMR of Transition Metal Compounds PM3 PRDDO Semiempiriad Methods Transition Metals SINDOl Parameterization and Application Transition Metals Applications. 

---