The use of inner projections of the polarization propagator to study different contributions to the magnetic shielding tensor. I. Proton deshielding by steric compression

@inproceedings{Ferraro1986TheUO,
  title={The use of inner projections of the polarization propagator to study different contributions to the magnetic shielding tensor. I. Proton deshielding by steric compression},
  author={Marta B. Ferraro and M. A. Natielo and Rub{\'e}n H. Contreras},
  year={1986}
}
A new method for studying different contributions to the magnetic shielding tensor is proposed. These contributions come from different molecular fragments, which are defined through a localization procedure. They are obtained by means of inner projections of the polarization propagator onto the subspace defined by the chosen molecular fragment. To illustrate the utility of this method, results are presented for the proton desheilding effect of steric crowding. Different degrees of… CONTINUE READING