Publicaciones (artículos en revistas, capítulos de libros, documentos
de trabajo, libros, informes técnicos, patentes de desarrollo tecnológico,
etc.). Sólo 1998 en adelante.
Interpolated Variational Transition-State
Theory by Mapping
J.C. Corchado,
E. L. Coitiño, Y.-Y. Chuang, P. Fast, and D. G. Truhlar Journal of
Physical Chemistry A., 102 (1998) 2424.
Dual-Level Direct Dynamics Calculations of Deuterium and Carbon-13
Kinetic Isotopic Effects for the Reaction Cl + CH4
O. Roberto-Neto,
E. L. Coitiño, D. G. Truhlar Journal of Physical Chemistry A., 102
(1998) 4568.
Degenerate
Lithium-Hydrogen Exchange Reactions: An Alternative Mechanism for
Metalation of CH4 in Gas Phase and THF Solution.
E.L.Coitiño,
F.M.Floris, E.Ciuffarin, J.Tomasi Journal of Physical Chemistry A.,
102 (1998) 8369
Reaction Path and Dual-Level Dynamics Calculations
of the CH3F + OH Reaction
J. Espinosa-Garcia,
E..L.Coitiño, A. Gonzales-Lafont, J.M. Lluch Journal of Physical Chemistry
A., 102 (1998) 10715.
Thermochemistry, Solvation, and Dynamics.
D.G. Truhlar,
Y.-Y. Chuang, E. L. Coitiño, J. C. Corchado, C. J. Cramer, D. Dolney,
J. Espinosa-Garcia, P. L. Fast, G. D. Hawkins, Y. Kim, J. Li, B. Lynch,
M. L. Radhakrishnan, O. Roberto-Neto, J. M. Rodgers, M. L. Sánchez,
J. Villà, P. Winget, and T. Zhu ACS Fuel Chemistry Preprint Series,
1999.
How should we calculate Transition State
Geometries for Radical Reactions? The Effect of Spin Contamination
on the Prediction of Geometries for Open-Shell Saddle Points.
Y.Y.Chuang, E. L. Coitiño, D. G. Truhlar
J.Phys.Chem. A, 184 (2000) 446.
New Clues for Understanding
Regio- and Stereoslectivity in Ene Reactions: Propene with Heteroatom-Substituted
Alkenes in Nitromethane Solution.
E.L.Coitiño, C. Cappelli, B. Mennucci,
J.Tomasi Journal of the American Chemical Society, aceptado.
On Search of Alternative
Mechanisms in Ene Reactions. Stable Intermediates: can they be detected?
E.L.Coitiño, C. Cappelli, B. Mennucci,
J.Tomasi Journal of the American Chemical Society, aceptado.
Hydrogen
Loss is not a Competitive Process with Rearrangements in the Reaction
Pathway of the CH2O.H2O Radical Cation. E.L.Coitiño,
M.Solà,
M.Duran, O.N.Ventura Journal of Physical Chemistry A., aceptado (in
revision).
Enseñanza
de la fisicoquímica a nivel molecular en el curriculum de la
Licenciatura en Bioquímica: Resultados de 5 años de
exploración educativa. E.
L. Coitiño, P. D. Dans, S. Vázquez y A. Castro, Primero
Foro Innovaciones Educativas en la enseñanza de grado, CSE
- UdelR, 2002.
Publicaciones en preparación
Gaining Insight on the Detailed Structure
of DNA-Cisplatin Adducts: Why GG Sequence is Predominant over AG?
P. Dans, E. L. Coitiño.
Target: J. Am. Chem. Soc.
Exploring the Generation of Radical and Distonic Radical Cations of
Ketenes by Ionization of 2-trans-Alkenals-Water Complexes.
E.L. Coitiño, S.
Vázquez. Target: J. Am. Chem. Soc.
Base
Catalysis in Acidic Aqueous Solution: Mechanistic Study of the Nucleophilic
Addition of Water to Glyoxal by Ab Initio PCM/IEF Methods.
E.L.Coitiño, J.Tomasi. Target: Journal
of the American Chemical Society
Maillard Reactions
and the French Paradox.
E.L. Coitiño. Target: J. Am. Chem. Soc.
Hydration of 2-oxoaldehydes
in Gas Phase and Aqueous Solution: a Mechanistic Study using Ab Initio
Methods.
E.L.Coitiño, J.Tomasi, O.N.Ventura. Target:
Journal of Molecular Structure (Theochem)
Distonic Radical Cations: Could it be possible
to obtain them by ionization of CH2=CHOH-Oxygenated H acceptors Complexes?
E. L. Coitiño, L. C. Luchini. Target journal:
Int. J. Quantum Chemistry.
Quantifying
Substituent Effects Along Reactions Paths: Claisen Rearrangement of
Allyl Vinyl Ethers in Aqueous Solution.
C. Cappelli, E. L. Coitiño, J. Tomasi.
Target: J. Phys. Chem.
Improving the Description
of Thermodynamics and Kinetics in Reactions involving Open-Shell Transition
States: the CH3OH + OH case.
E.L. Coitiño. Target Journal: Chem. Phys.
Letters
Premios científicos recibidos o distinciones
Dra.
Coitiño
- Premio
Nacional CONICYT-TWAS al mejor investigador joven (<35 años) en el
área Química 1999.
Dra.
Coitiño - Evaluadora
de artículos originales para publicación de las revistas Journal of
the American Chemical Society y Journal of Physical Chemistry.
