GIAOâ¿¿DFT isotropic magnetic shielding constants and spinâ¿¿spin coupling of tartaric acid in water solution

â¿¢We check the solution polarization effects on the spectroscopic magnetic properties.â¿¢We observe the influence of the explicit waters on the magnetic shielding constants.â¿¢An analysis of the soluteâ¿¿solvent structure was studied using classic MC simulations.