Proyectos de Investigación:
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Estudio mediante Dinámica Molecular y Mecánica
Cuántica de la Estructura Secundaria de las Proteínas. Financiado
por el Fondo de Investigaciones Sanitarias. Ref. 01/1664. Del 1
de Junio del 2000 al 1 de Julio del 2003.
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Estados intermedios de la materia e interfases: una visión
macroscópica coherente. Financiado por el Ministerio de Ciencia
y Tecnología, Plan General de Promoción del Conocimiento.
Del 1 de Junio del 2000 al 1 de Julio del 2003.
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Plan Andaluz de Investigación (PAI) Grupos PAI- FQM
205
Publicaciones seleccionadas:
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"Accurate simulations of the vapor-liquid equilibrium
of important organic solvents and other diatomics.", S. Lago, B. Garzón,
S. Calero and C. Vega., The Journal of Physical Chemistry 101,
6763-6771, (1997)
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"Non-equilibrium properties of linear polar Kihara
fluids from Molecular Dynamics. results for models and for liquid acetonitrile",
S.
Calero, B. Garzón, L.G. MacDowell and S. Lago, The Journal of
Chemical Physics, 107, 2034-2045, (1997).
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"Direct determination of biogenic amines in wine
by integrating continuous flow clean-up capillary electrophoresis with
indirect UV
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detection" L. Arce, A. Ríos,
M. Valcárcel. Journal of Chromatography A, 803 (1998) 249-260.
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"A new and more direct test of Hubbard relations
from molecular mass distribution influence on linear liquid dynamics",
S.
Calero, S. Lago y B. Garzón,
J. Chem. Phys., 111, 5434-5440
(1999)
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"On the suitability of the Kihara potential to
predict molecular spectra of linear polyatomic molecules", S. Calero,
B. Garzón, S. Jorge, J. A. Mejías, J. Tortajada y S. Lago,
J.
Phys. Chem., 104, 5808-5815 (2000)
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"Spectroscopic characterisation and chemical reactivity
of silicon monoxide layers deposited on Cu(100)", F. Yubero, A. Barranco,
J. A. Mejías, J. P. Espinós and A. R. González-Elipe,
F. Yubero, A. Barranco,
Surface Science, 458, 229 (2000)
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"Calculation of the absolute hydration enthalpy
and free energy of H+ and OH-", J. A. Mejías y S. Lago, J.
Chem. Phys., 113, 7306(2000)
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"Gibbs-Ensemble Simulation of the Vapor-liquid
Equilibrium of Square Well Spherocylinders", B. Martínez-Haya,
L.F. Rull, A. Cuetos y S. Lago,
Mol. Phys., 99, 509 (2001)
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"Self-consistent effective interactions in charged
colloidal suspensions", J. A. Anta y S. Lago, J. Chem. Phys., 116,
10514 (2002)
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"Piezoelectric screening on line coupled to capillary
electrophoresis for detection and speciation of mercury" Lisbeth
Manganiello, Lourdes Arce, Angel Ríos, Miguel Valcárcel.
Journal of Microcolumn Separation, 25, 319-327 (2002).
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"Solution of the Percus-Yevick equation for square
well spherocylinders" B. Martínez-Haya, A. Cuetos y S. Lago,
Phys.
Rev.E 67, 051901, (2003)
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"The influence of charge distribution on the thermophysical
properties of polar linear molecular models", S. Calero, B. Garzón
y S. Lago, J. Chem. Phys., 118, 11079-11091 (2003)
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"A Monte Carlo study of the relative stability
of protein helical forms", M. C. Gordillo y S. Lago, Mol.
Simul., 29, 437-441,(2003).
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"Classical Molecular Dynamics simulation of kappa
squared factor in resonance energy transfer for linear dipole models",
S. Calero, S. Lago y B. Garzón, Mol. Simul., 29, 519
(2003)
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"On the structure of liquids composed of shifted dipole linear molecules",
S. Lago, S. López-Vidal, B. Garzón, J. A. Mejías,
J. A. Anta y S. Calero, Phys.Rev.E, 68, 021201(1-4) (2003)
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"Integral equation studies of charged colloids: non-solution boundaries
and bridge functions", J. A. Anta, F. Bresme y S. Lago, J.
Phys.: Condens. Matter, 15, S349-3507 (2003)
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