The effect of lone pairs and electronegativity on the indirect nuclear spin–spin coupling constants in CH2X (X=CH2, NH, O, S): <i>Ab initio</i> calculations using optimized contracted basis sets

The indirect nuclear spin–spin coupling constants of C2H4, CH2NH, CH2O, and CH2S were investigated by means of correlated ab initio calculations at the level of the second order polarization propagator approximation (SOPPA) and the second order polarization propagator approximation with coupled clus... View More