Juan Raul Alvarez Idaboy

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• Juan Raul Alvarez Idaboy
• Departamento de Física y Química Teórica
• Reactividad química mediante métodos
  mecánico-cuánticos y teorías del estado de
  transición.
• Estudio de reacciones atmosféricas y reacciones
  radical-molécula.
• Estudio de reacciones químicas y enzimáticas de
  interés biológico.
• Estudio de mecanismos de reacciones orgánicas.

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• Estudio de reacciones atmosféricas y reacciones
  radical-molécula
• J. Raúl Alvarez-Idaboy, Nelaine Mora-Diez, Annik
  Vivier-Bunge A Quantum Chemical and CTST
  Explanation of Negative Activation Energies in
  OH-Addition to Substituted Ethenes J. Am. Chem.
  Soc., 122(15), 3715 (2000).
• J. Raul Alvarez-Idaboy, Nelaine Mora-Diez,
  Russell J. Boyd, and Annik Vivier-Bunge. On the
  Importance of Prereactive Complexes in
  Molecule-Radical Reactions Hydrogen Abstraction
  from Aldehydes by OH. J. Am. Chem. Soc., 123,
  2018-2024, (2001).
• J. Raúl Alvarez-Idaboy, Annia Galano, Graciela
  Bravo-Pérez, Ma. Esther Ruiz. Rate Constants
  Dependence on the Size of Aldehydes in the NO3
  Aldehydes Reaction. An explanation via Quantum
  Chemical Calculations and CTST. J. Am. Chem.
  Soc. 123, 8387 (2001).
• A. Galano, J. R. Alvarez-Idaboy, M. E.
  Ruiz-Santoyo, A. Vivier-Bunge, Rate Coefficient
  and Mechanism of the Gas Phase OH Hydrogen
  Abstraction Reaction from Formic Acid J. Phys.
  Chem. A, 106, 9520-9528 (2002).
• J. R. Alvarez-Idaboy, Armando Cruz-Torres, A.
  Galano, Ma. Esther Ruiz-Santoyo,
  Structure-reactivity relationship in Ketones A
  Quantum Mechanical and TST Approach. J. Phys.
  Chem. A 108(14) 2740 (2004).
• Galano, A Alvarez-Idaboy, JR Ruiz-Santoyo M.
  E. Vivier-Bunge A. Mechanism and kinetics of the
  reaction of OH radicals with glyoxal and
  methylglyoxalA Quantum Chemistry CVT/SCT
  approach. ChemPhysChem 5, 1379-1388 (2004).
• A. Galano, J. R. Alvarez-Idaboy, Ma. E.
  Ruiz-Santoyo, A. Vivier-Bunge, Glycolaldehide
  OH gas phase reaction A Quantum Chemistry
  CVT/SCT Approach , J. Phys. Chem. A.,109,
  169-180 (2005).
• G. Bravo-Pérez, J. R. Alvarez-Idaboy, A. Galano,
  A. Cruz-Torres, Quantum Chemical and
  Conventional TST Calculations of Rate Constants
  for the OH Alkane Reaction, Chemical Physics
  310 (1-3) 213-223 (2005).
• Francisco-Marquez, M. Alvarez-Idaboy, J. R.
  Galano, A. Vivier-Bunge, A. A Possible
  Mechanism for Furan Formation in the Tropospheric
  Oxidation of Dienes, Publicado como ASAP paper
  DOI 10.1021/es0500714. Env. Sci. Technol. 2005 A

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Estudio de reacciones químicas y enzimáticas de
interés biológico

• J. Raúl Alvarez-Idaboy, Yves G. Smeyers, Alfonso
  Hernández-Laguna and Raúl González-Jonte Reaction
  Mechanism of the Acyl-Enzyme Formation in
  ?-Lactam Hydrolysis by means of Quantum Chemical
  Modeling. Journal of Molecular Structure,
  (THEOCHEM), 504 13-28, (2000).
• Annia Galano, J. Raul Alvarez-Idaboy, L A.
  Montero, Annik Vivier-Bunge. OH Hydrogen
  Abstraction Reactions from Alanine and GlycineA
  Quantum Mechanical Approach. Journal of
  Computational Chemistry, Vol. 22, No. 11,
  11381153 (2001)
• A. Galano, J. R. Alvarez Idaboy, G. Bravo-Perez,
  Ma. E. Ruiz-Santoyo, Mechanism and Rate
  Coefficients of the Gas Phase OH Hydrogen
  Abstraction Reaction from Asparagine A Quantum
  Mechanical Approach. Journal of Molecular
  Structure (Theochem) 617 7786, (2002).
• A. Galano, J. R. Alvarez-Idaboy, A. Cruz-Torres,
  M. E. Ruiz-Santoyo, Kinetics and Mechanism of the
  Gas Phase OH Hydrogen abstraction Reaction from
  Methionine A Quantum Mechanical Approach.
  International Journal of Chemical Kinetics,
  35(5), , 212-221, (2003).
• A. Galano, J. R. Alvarez-Idaboy, Armando
  Cruz-Torres, Ma. Esther Ruiz-Santoyo, Rate
  coefficients and mechanism of the gas phase OH
  hydrogen abstraction reaction from serine a
  quantum mechanical approach. Journal of Molecular
  Structure (Theochem), 629, 165-174, (2003).
• A. Galano, J. R. Alvarez-Idaboy, E.
  Agacino-Valdés, Ma. E. Ruiz-Santoyo, Quantum
  Mechanical Approach to Isoleucine OH Gas Phase
  Reaction. Mechanism and Kinetics, Journal of
  Molecular Structure (Theochem), Vol 676/1-3
  97-103, (2004).

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• Estudio de mecanismos de reacciones orgánicas.
• Martín A. Iglesias-Arteaga, Gustavo A.
  Velázquez-Huerta, José M. Méndez-Stivalet, Annia
  Galano, J. Raúl Alvarez-Idaboy, The
  Baeyer-Villiger reaction of 23-oxosapogenins
  ARKIVOC, Issue in Honor of Prof. Eusebio
  Juaristi, vi, 109-126 (2005).

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Colaboracion actual UNAM Martín Iglesias
(Química Orgánica) Lino Reyes (Química
Orgánica) Pandiyan Thangarasu (Inorgánica
) Julián Cruz (Física y Química
Teórica) Externa Annia Galano Jiménez
(IMP) Armando Cruz Torres (IMP) Annik Vivier
Bunge (UAM-I) Jean Andino (University of
Florida) Margarita Bernal Uruchurtu UAEM-CIQ