A number of important reactions involved in the formation and metabolism of N‐nitrosamines have been studied using a modified reaction field method which treats the solute quantum mechanically and the solvent as a polarized dielectric.
Bonaccorsi, R., Tomasi, J., Reynolds, C. A., & Thomson, C. (1988). Ab initio calculations relevant to the mechanism of chemical carcinogenesis by N‐nitrosamines. VIII: Effects of hydration on various reactions involved in the formation and metabolism of N‐nitrosamines. Journal of Computational Chemistry, 9(7), 779-783. https://doi.org/10.1002/jcc.540090708