Kaupp, M. Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;
Kaupp, M., Malkina, O. L., & Malkin, V. G. (1999). The role of π-type nonbonding orbitals for spin-orbit induced NMR chemical shifts: DFT study of 13C and 19F shifts in the series CF3IFn(=0,2,4,6). Journal of Computational Chemistry, 20, 1304-1313.