J.R. Alvarez-Idaboy
J.R. Alvarez-Idaboy
Facultad de Qumica UNAM
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On the importance of prereactive complexes in molecule− radical reactions: hydrogen abstraction from aldehydes by OH
JR Alvarez-Idaboy, N Mora-Diez, RJ Boyd, A Vivier-Bunge
Journal of the American Chemical Society 123 (9), 2018-2024, 2001
2312001
A quantum chemical and classical transition state theory explanation of negative activation energies in OH addition to substituted ethenes
JR Alvarez-Idaboy, N Mora-Diez, A Vivier-Bunge
Journal of the American Chemical Society 122 (15), 3715-3720, 2000
2102000
Antioxidant Activity of trans-Resveratrol toward Hydroxyl and Hydroperoxyl Radicals: A Quantum Chemical and Computational Kinetics Study
C Iuga, JR Alvarez-Idaboy, N Russo
The Journal of organic chemistry 77 (8), 3868-3877, 2012
1742012
Food antioxidants: chemical insights at the molecular level
A Galano, G Mazzone, R Alvarez-Diduk, T Marino, JR Alvarez-Idaboy, ...
Annual review of food science and technology 7, 335-352, 2016
1712016
A computational methodology for accurate predictions of rate constants in solution: Application to the assessment of primary antioxidant activity
A Galano, JR Alvarez‐Idaboy
Journal of computational chemistry 34 (28), 2430-2445, 2013
1622013
Counterpoise corrected interaction energies are not systematically better than uncorrected ones: comparison with CCSD (T) CBS extrapolated values
JR Alvarez-Idaboy, A Galano
Theoretical Chemistry Accounts 126 (1-2), 75-85, 2010
1232010
Glutathione: mechanism and kinetics of its non-enzymatic defense action against free radicals
A Galano, JR Alvarez-Idaboy
Rsc Advances 1 (9), 1763-1771, 2011
1172011
Gas phase reactions of C 1–C 4 alcohols with the OH radical: A quantum mechanical approach
A Galano, JR Alvarez-Idaboy, G Bravo-Pérez, ME Ruiz-Santoyo
Physical Chemistry Chemical Physics 4 (19), 4648-4662, 2002
1002002
Kinetics of radical‐molecule reactions in aqueous solution: A benchmark study of the performance of density functional methods
A Galano, JR Alvarez‐Idaboy
Journal of computational chemistry 35 (28), 2019-2026, 2014
972014
Can a single water molecule really catalyze the acetaldehyde+ OH reaction in tropospheric conditions?
C Iuga, JR Alvarez-Idaboy, L Reyes, A Vivier-Bunge
The Journal of Physical Chemistry Letters 1 (20), 3112-3115, 2010
972010
OH radical gas phase reactions with aliphatic ethers: a variational transition State Theory Study
C Zavala-Oseguera, JR Alvarez-Idaboy, G Merino, A Galano
The Journal of Physical Chemistry A 113 (50), 13913-13920, 2009
952009
ROS initiated oxidation of dopamine under oxidative stress conditions in aqueous and lipidic environments
C Iuga, JR Alvarez-Idaboy, A Vivier-Bunge
The Journal of Physical Chemistry B 115 (42), 12234-12246, 2011
942011
Guanosine+ oh radical reaction in aqueous solution: A reinterpretation of the uv− vis data based on thermodynamic and kinetic calculations
A Galano, JR Alvarez-Idaboy
Organic letters 11 (22), 5114-5117, 2009
932009
A new specific mechanism for the acid catalysis of the addition step in the Baeyer− Villiger rearrangement
JR Alvarez-Idaboy, L Reyes, J Cruz
Organic Letters 8 (9), 1763-1765, 2006
862006
Quantum chemistry and TST study of the mechanisms and branching ratios for the reactions of OH with unsaturated aldehydes
A Vega-Rodriguez, JR Alvarez-Idaboy
Physical Chemistry Chemical Physics 11 (35), 7649-7658, 2009
832009
A new approach to counterpoise correction to BSSE
A Galano, JR Alvarez–Idaboy
Journal of computational chemistry 27 (11), 1203-1210, 2006
832006
The mechanism of the Baeyer–Villiger rearrangement: quantum chemistry and TST study supported by experimental kinetic data
JR Alvarez-Idaboy, L Reyes, N Mora-Diez
Organic & biomolecular chemistry 5 (22), 3682-3689, 2007
812007
Rate coefficient and mechanism of the gas phase OH hydrogen abstraction reaction from formic acid: A quantum mechanical approach
A Galano, JR Alvarez-Idaboy, ME Ruiz-Santoyo, A Vivier-Bunge
The Journal of Physical Chemistry A 106 (41), 9520-9528, 2002
762002
Canolol: a promising chemical agent against oxidative stress
A Galano, M Francisco-Márquez, JR Alvarez-Idaboy
The Journal of Physical Chemistry B 115 (26), 8590-8596, 2011
752011
Mechanism and kinetics studies on the antioxidant activity of sinapinic acid
A Galano, M Francisco-Márquez, JR Alvarez-Idaboy
Physical Chemistry Chemical Physics 13 (23), 11199-11205, 2011
742011
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Artículos 1–20