Journal of the American Chemical Society, Vol.117, No.6, 1851-1852, 1995
Scalar Relativistic Effects on O-17 NMR Chemical-Shifts in Transition-Metal Oxo Complexes - An Ab-Initio ECP/DFT Study
Keywords:ADJUSTED ABINITIO PSEUDOPOTENTIALS;MAGNETIC-SUSCEPTIBILITIES;LOCALIZED QUANTITIES;CORRELATION-ENERGY;ELECTRON-GAS;ELEMENTS;APPROXIMATION;MO-95;TERMS