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.

Caputo íaCristina, Provasi PF, Benitez ía, Georg HC, Canuto S, Coutinho K.  2014.  Monte Carlo–Quantum Mechanics Study of Magnetic Properties of Hydrogen Peroxide in Liquid Water. The Journal of Physical Chemistry A. 118(32):6239-6247.

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)

Georg HC, Canuto S.  2012.  Electronic Properties of Water in Liquid Environment. A Sequential QM/MM Study Using the Free Energy Gradient Method. The Journal of Physical Chemistry B. 116(36):11247-11254.

Gester RM, Georg HC, Fonseca TL, Provasi PF, Canuto S.  2012.  A simple analysis of the influence of the solvent-induced electronic polarization on the 15N magnetic shielding of pyridine in water. Theoretical Chemistry Accounts. 131(5)

alić Ȟ, Aquino éliaJA, Tunega D, Haberhauer G, Gerzabek MH, Georg HC, Moraes TF, Coutinho K, Canuto S, Lischka H.  2010.  Thermodynamic stability of hydrogen-bonded systems in polar and nonpolar environments. Journal of Computational Chemistry. :NA-NA.