Kaline Coutinho
Kaline Coutinho
Professor de Física, Universidade de São Paulo
E-mail confirmado em if.usp.br
Título
Citado por
Citado por
Ano
Métodos de química teórica e modelagem molecular
NH Morgon
Editora Livraria da Física, 2007
2762007
Solvent effects in emission spectroscopy: A Monte Carlo quantum mechanics study of the shift of formaldehyde in water
K Coutinho, S Canuto
The Journal of Chemical Physics 113 (20), 9132-9139, 2000
1892000
Solvent effects from a sequential Monte Carlo-quantum mechanical approach
K Coutinho, S Canuto
Advances in quantum chemistry 28, 89-105, 1997
1791997
DICE: A Monte Carlo program for molecular liquid simulation
K Coutinho, S Canuto
University of São Paulo, Brazil, 1997
1721997
A Monte Carlo-quantum mechanics study of the solvatochromic shifts of the lowest transition of benzene
K Coutinho, S Canuto, MC Zerner
The Journal of Chemical Physics 112 (22), 9874-9880, 2000
1562000
An efficient statistically converged average configuration for solvent effects
K Coutinho, HC Georg, TL Fonseca, V Ludwig, S Canuto
Chemical physics letters 437 (1-3), 148-152, 2007
1472007
Ab initio calculation of hydrogen bonds in liquids: A sequential Monte Carlo quantum mechanics study of pyridine in water
T Malaspina, K Coutinho, S Canuto
The Journal of chemical physics 117 (4), 1692-1699, 2002
1132002
Solvent effects on the UV-visible absorption spectrum of benzophenone in water: A combined Monte Carlo quantum mechanics study including solute polarization
HC Georg, K Coutinho, S Canuto
The Journal of chemical physics 126 (3), 034507, 2007
1042007
From hydrogen bond to bulk: Solvation analysis of the n‐π* transition of formaldehyde in water
S Canuto, K Coutinho
International Journal of Quantum Chemistry 77 (1), 192-198, 2000
1012000
The sequential Monte Carlo-quantum mechanics methodology. Application to the solvent effects in the Stokes shift of acetone in water
K Coutinho, S Canuto
Journal of Molecular Structure: THEOCHEM 632 (1-3), 235-246, 2003
942003
Lições de física de Feynman: edição definitiva
RP Feynman, RB Leighton, M Sands
Bookman, 2008
932008
Converged Electronic Polarization of Acetone in Liquid Water and the Role in the n–π∗ Transition
HC Georg, K Coutinho, S Canuto
Chemical physics letters 429 (1-3), 119-123, 2006
902006
Electronic polarization of liquid water: converged Monte Carlo-quantum mechanics results for the multipole moments
K Coutinho, RC Guedes, BJC Cabral, S Canuto
Chemical physics letters 369 (3-4), 345-353, 2003
792003
New developments in Monte Carlo/quantum mechanics methodology. The solvatochromism of β-carotene in different solvents
S Canuto, K Coutinho, D Trzesniak
Academic press 41, 161-183, 2002
752002
Sampling configurations in Monte Carlo simulations for quantum mechanical studies of solvent effects
K Coutinho, MJ De Oliveira, S Canuto
International journal of quantum chemistry 66 (3), 249-253, 1998
731998
Solvent effects in chemical processes. water-assisted proton transfer reaction of pterin in aqueous environment
P Jaramillo, K Coutinho, S Canuto
The Journal of Physical Chemistry A 113 (45), 12485-12495, 2009
602009
Theoretical analysis of the hydrogen bond interaction between acetone and water
K Coutinho, N Saavedra, S Canuto
Journal of Molecular Structure: THEOCHEM 466 (1-3), 69-75, 1999
601999
Including dispersion in configuration interaction-singles calculations for the spectroscopy of chromophores in solution
S Canuto, K Coutinho, MC Zerner
The Journal of Chemical Physics 112 (17), 7293-7299, 2000
572000
A Monte Carlo-quantum mechanics study of the lowest n–π* and π–π* states of uracil in water
V Ludwig, K Coutinho, S Canuto
Physical Chemistry Chemical Physics 9 (35), 4907-4912, 2007
532007
An efficient quantum mechanical/molecular mechanics Monte Carlo simulation of liquid water
WR Rocha, K Coutinho, WB de Almeida, S Canuto
Chemical physics letters 335 (1-2), 127-133, 2001
532001
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Artigos 1–20