Kaline Coutinho

An efficient statistically converged average configuration for solvent effects

Kaline Coutinho, Herbert C. Georg, Tertius L. Fonseca et al. · Chemical Physics Letters · 2007 · 202 citations

Average Configuration, Computational Chemistry, Statistical Averaging +3

Solvent effects in emission spectroscopy: A Monte Carlo quantum mechanics study of the n←π* shift of formaldehyde in water

Kaline Coutinho, Sylvio Canuto · The Journal of Chemical Physics · 2000 · 184 citations

Engineering, Computational Chemistry, Chemistry +18

A Monte Carlo-quantum mechanics study of the solvatochromic shifts of the lowest transition of benzene

Kaline Coutinho, Sylvio Canuto, Michael C. Zerner · The Journal of Chemical Physics · 2000 · 168 citations

Lowest Transition, Engineering, Computational Chemistry +19

Solvent effects on the UV-visible absorption spectrum of benzophenone in water: A combined Monte Carlo quantum mechanics study including solute polarization

Herbert C. Georg, Kaline Coutinho, Sylvio Canuto · The Journal of Chemical Physics · 2007 · 134 citations

Engineering, Absorption Spectroscopy, Organic Chemistry +19

<i>Ab initio</i> calculation of hydrogen bonds in liquids: A sequential Monte Carlo quantum mechanics study of pyridine in water

Thaciana Malaspina, Kaline Coutinho, Sylvio Canuto · The Journal of Chemical Physics · 2002 · 100 citations

Systematic Procedure, Engineering, Physics +14