Bistafa C, Georg HC, Canuto S.  2014.  Combining ab initio multiconfigurational and Free Energy Gradient methods to study the π–π* excited state structure and properties of uracil in water. Computational and Theoretical Chemistry. 1040-1041:312-320.

Gester RM, Bistafa C, Georg HC, Coutinho K, Canuto S.  2014.  Theoretically describing the 17O magnetic shielding constant of biomolecular systems: uracil and 5-fluorouracil in water environment. Theoretical Chemistry Accounts. 133(1)

Orozco-Gonzalez Y, Bistafa C, Canuto S.  2013.  Solvent Effect on the Stokes Shift and on the Nonfluorescent Decay of the Daidzein Molecular System. The Journal of Physical Chemistry A. 117(21):4404-4411.

Bistafa C, Canuto S.  2013.  Solvent effects on the two lowest-lying singlet excited states of 5-fluorouracil. Theoretical Chemistry Accounts. 132(1)