Duarte élio, Canuto S.  2012.  Proceedings of the 16th Brazilian symposium of theoretical chemistry. International Journal of Quantum Chemistry. 112(19):3131-3131.

Duarte élio, Canuto S.  2012.  Proceedings of the 16th Brazilian symposium of theoretical chemistry. International Journal of Quantum Chemistry. 112(19):3131-3131.

Silva DL, N. Murugan A, Kongsted J, Rinkevicius Z, Canuto S, Ågren H.  2012.  The Role of Molecular Conformation and Polarizable Embedding for One- and Two-Photon Absorption of Disperse Orange 3 in Solution. The Journal of Physical Chemistry B. 116(28):8169-8181.

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)

Debnath PKumar, Chakrabarti B, Das TKumar, Canuto S.  2012.  Structural properties and energetics of diffuse 87Rb clusters in three-dimension. The Journal of Chemical Physics. 137(1):014301.

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.

Ueno LT, Lopes C, Malaspina T, Roberto-Neto O, Canuto S, Machado FBC.  2012.  Theoretical study of the XP3 (X=Al, B, Ga) clusters. Chemical Physics. 399:23-27.

Garrido JD, Ballester MY, lez Ý, Canuto S.  2011.  CASPT2 Study of the Potential Energy Surface of the HSO ₂ System. The Journal of Physical Chemistry A. 115(9):1453-1461.

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.

Das TKumar, Chakrabarti B, Canuto S.  2011.  Use of correlated potential harmonic basis functions for the description of the 4He trimer and small clusters. The Journal of Chemical Physics. 134(16):164106.

Barreto RC, Canuto S.  2010.  Characterization and spectroscopic analysis of phenol–ethanol hydrogen bonded clusters. Chemical Physics Letters. 496(4-6):236-242.

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.

Canuto S, Coutinho K, Cabral BJC, Zakrzewski V.G, Ortiz J.V.  2010.  Delocalized water and fluoride contributions to Dyson orbitals for electron detachment from the hydrated fluoride anion. The Journal of Chemical Physics. 132(21):214507.

Cabral BJCosta, Coutinho K, Canuto S.  2010.  Electronic properties of liquid hydrogen fluoride: A sequential quantum mechanical/Born–Oppenheimer molecular dynamics approach. Chemical Physics Letters. 495(1-3):40-45.

Silva DL, Coutinho K, Canuto S.  2010.  Electronic spectroscopy of biomolecules in solution: fluorescein dianion in water. Molecular Physics. 108(21-23):3125-3130.

Fonseca TL, Coutinho K, Canuto S.  2010.  Hydrogen bond interactions between acetone and supercritical water. Physical Chemistry Chemical Physics. 12(25):6660.

Dutra AS, Castro MA, Fonseca TL, Fileti EE, Canuto S.  2010.  Hyperpolarizabilities of the methanol molecule: A CCSD calculation including vibrational corrections. The Journal of Chemical Physics. 132(3):034307.

Chaudhuri P, Canuto S.  2010.  Many-body energy decomposition of hydrogen-bonded glycine clusters in gas-phase. Chemical Physics Letters. 491(1-3):86-90.

Ludwig V, da Costa éliaM, Amaral MSerrou do, Borin ACarlos, Canuto S, és L.  2010.  Photophysics and photostability of adenine in aqueous solution: A theoretical study. Chemical Physics Letters. 492(1-3):164-169.

Kongsted J, Mennucci B, Coutinho K, Canuto S.  2010.  Solvent effects on the electronic absorption spectrum of camphor using continuum, discrete or explicit approaches. Chemical Physics Letters. 484(4-6):185-191.

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.