“…Besides, they can be used in conjunction with the solvent representation given by the Polarizable Continuum Model, PCM [26][27], to obtain a powerful tool to evaluate NMR couplings in compounds where solvation effects cannot be neglected [28]. and Diamagnetic Spin Orbit, DSO, are calculated within the DFT framework, the dielectric solvent effect analysis is mainly circumscribed to the FC term because in the two couplings considered in this work, it is by far the largest contribution and, therefore even if non-contact terms, SD, PSO and DSO, are solvent-dependent, their contributions to the total solvent effect should be negligible when compared with that of the FC term.…”