Hidalgo M, Coutinho K, Canuto S.  2015.  Behavior of the dielectric constant of Ar near the critical point. Physical Review E. 91(3)

Cabral BJCosta, Rivelino R, Coutinho K, Canuto S.  2015.  A first principles approach to the electronic properties of liquid and supercritical CO2. The Journal of Chemical Physics. 142(2):024504.

Vequi-Suplicy íntiaC, Coutinho K, M. Lamy T.  2015.  New Insights on the Fluorescent Emission Spectra of Prodan and Laurdan. Journal of Fluorescence. 25(3):621-629.

Cabral BJCosta, Rivelino R, Coutinho K, Canuto S.  2015.  Probing Lewis Acid–Base Interactions with Born–Oppenheimer Molecular Dynamics: The Electronic Absorption Spectrum of p -Nitroaniline in Supercritical CO ₂. The Journal of Physical Chemistry B. 119(26):8397-8405.

de Oliveira EM, Freitas TC, Coutinho K, Varella árcioT do N, Canuto S, Lima MAP, Bettega árcioHF.  2014.  Communication: Transient anion states of phenol…(H2O)n (n = 1, 2) complexes: Search for microsolvation signatures. The Journal of Chemical Physics. 141(5):051105.

Cabral BJC, Coutinho K, Canuto S.  2014.  Dynamics of endo- vs. exo-complexation and electronic absorption of calix[4]arene-Ar2. Chemical Physics Letters. 612:266-272.

Vequi-Suplicy íntiaC, Coutinho K, M. Lamy T.  2014.  Electric dipole moments of the fluorescent probes Prodan and Laurdan: experimental and theoretical evaluations. Biophysical Reviews. 6(1):63-74.

Cabral BJC, Cruzeiro íciusWilian D, Coutinho K, Canuto S.  2014.  Free base phthalocyanine: Influence of thermal effects and dimerization on the electronic absorption spectrum. Chemical Physics Letters. 595-596:97-102.

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.

da Cunha AR, Duarte EL, M. Lamy T, Coutinho K.  2014.  Protonation/deprotonation process of Emodin in aqueous solution and pKa determination: UV/Visible spectrophotometric titration and quantum/molecular mechanics calculations. Chemical Physics. 440:69-79.

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)

Cabral BJC, Coutinho K, Canuto S.  2013.  Born-Oppenheimer molecular dynamics and electronic properties of chlorophyll-c2 in liquid methanol. The Journal of Chemical Physics. 138(22):225102.

Mitev PD, Bopp PA, Petreska J, Coutinho K, gren H̊, Pejov L, Hermansson K.  2013.  Different structures give similar vibrational spectra: The case of OH− in aqueous solution. The Journal of Chemical Physics. 138(6):064503.

Vequi-Suplicy íntiaC, Coutinho K, M. Lamy T.  2013.  Optical characterization of Prodan aggregates in water medium. Physical Chemistry Chemical Physics. 15(28):11800.

Modesto-Costa L, Coutinho K, Mukherjee PK, Canuto S.  2012.  Calculations of the spectral shifts and line profiles of alkaline earth atoms in liquid helium environment. Chemical Physics Letters. 533:25-29.

Jaramillo P, Coutinho K, Cabral BJCosta, Canuto S.  2012.  Ionization of chlorophyll-c2 in liquid methanol. Chemical Physics Letters. 546:67-73.

Nitschke WK, Vequi-Suplicy íntiaC, Coutinho K, Stassen H.  2012.  Molecular Dynamics Investigations of PRODAN in a DLPC Bilayer. The Journal of Physical Chemistry B. 116(9):2713-2721.

Damasceno MVA, Cabral BJCosta, Coutinho K.  2012.  Structure and electronic properties of hydrated mesityl oxide: a sequential quantum mechanics/molecular mechanics approach. Theoretical Chemistry Accounts. 131(5)

Orozco-Gonzalez Y, Coutinho K, Peon J, Canuto S.  2012.  Theoretical study of the absorption and nonradiative deactivation of 1-nitronaphthalene in the low-lying singlet and triplet excited states including methanol and ethanol solvent effects. The Journal of Chemical Physics. 137(5):054307.

Modesto-Costa L, Coutinho K, Mukherjee PK, Canuto S.  2011.  Combining Monte Carlo simulation and density-functional theory to describe the spectral changes of Na. Physical Review A. 83(4)

Manzoni ́cius, Lyra ML, Coutinho K, Canuto S.  2011.  Comparison of polarizable continuum model and quantum mechanics∕molecular mechanics solute electronic polarization: Study of the optical and magnetic properties of diazines in water. The Journal of Chemical Physics. 135(14):144103.

Mateus MPS, Galamba N, Cabral BJCosta, Coutinho K, Canuto S.  2011.  Electronic properties of a methane–water solution. Chemical Physics Letters. 506(4-6):183-189.

Jaramillo P, Coutinho K, Cabral BJC, Canuto S.  2011.  Explicit solvent effects on the visible absorption spectrum of a photosynthetic pigment: Chlorophyll-c2 in methanol. Chemical Physics Letters. 516(4-6):250-253.

Oliveira LBA, Fonseca TL, Coutinho K, Canuto S.  2011.  A sequential MC/TD-DFT study of the solvatochromic shift of the pyridinium-N-phenoxide betaine dye in water using standard and long-range corrected functionals. Chemical Physics Letters. 514(4-6):251-256.

Jaramillo P, Coutinho K, Canuto S.  2010.  Continuum, discrete, and explicit solvation models for describing the low-lying absorption spectrum of the pterin acid in aqueous environment. International Journal of Quantum Chemistry. :n/a-n/a.