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Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics|July 13, 2004
Combined Monte Carlo and quantum mechanics study of the hydration of the guanine-cytosine base pairKaline Coutinho, Valdemir Ludwig, Sylvio CanutoPhysical Chemistry Chemical Physics : PCCP|October 4, 2007
A Monte Carlo-quantum mechanics study of the lowest n-pi* and pi-pi* states of uracil in waterValdemir Ludwig, Kaline Coutinho, Sylvio CanutoThe Journal of Physical Chemistry. A|September 17, 2009
Solvent effects in chemical processes. water-assisted proton transfer reaction of pterin in aqueous environmentPaula Jaramillo, Kaline Coutinho, Sylvio CanutoPhysical Review. E, Statistical, Nonlinear, and Soft Matter Physics|April 15, 2015
Behavior of the dielectric constant of Ar near the critical pointMarcelo Hidalgo, Kaline Coutinho, Sylvio CanutoThe Journal of Chemical Physics|July 24, 2008
The isotropic nuclear magnetic shielding constants of acetone in supercritical water: a sequential Monte Carlo/quantum mechanics study including solute polarizationTertius L Fonseca, Kaline Coutinho, Sylvio CanutoPhysical Chemistry Chemical Physics : PCCP|April 23, 2010
Hydrogen bond interactions between acetone and supercritical waterTertius L Fonseca, Kaline Coutinho, Sylvio CanutoJournal of Chemical Information and Modeling|May 30, 2020
DICE: A Monte Carlo Code for Molecular Simulation Including the Configurational Bias Monte Carlo MethodHenrique M Cezar, Sylvio Canuto, Kaline CoutinhoThe Journal of Chemical Physics|January 26, 2007
Solvent effects on the UV-visible absorption spectrum of benzophenone in water: a combined Monte Carlo quantum mechanics study including solute polarizationHerbert C Georg, Kaline Coutinho, Sylvio CanutoThe Journal of Chemical Physics|January 26, 2007
Probing supercritical water with the n-pi* transition of acetone: a Monte Carlo/quantum mechanics studyTertius L Fonseca, Kaline Coutinho, Sylvio CanutoThe Journal of Chemical Physics|January 6, 2006
Asequential Monte Carlo quantum mechanics study of the hydrogen-bond interaction and the solvatochromic shift of the n-pi* transition of acrolein in waterHerbert C Georg, Kaline Coutinho, Sylvio CanutoPageof 7