J.R. Alvarez-Idaboy
J.R. Alvarez-Idaboy
Facultad de Qumica UNAM
Patvirtintas el. paštas - Pagrindinis puslapis
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
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
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
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
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
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
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
Computational strategies for predicting free radical scavengers' protection against oxidative stress: where are we and what might follow?
A Galano, J Raúl Alvarez‐Idaboy
International Journal of Quantum Chemistry 119 (2), e25665, 2019
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, 75-85, 2010
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
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
A new approach to counterpoise correction to BSSE
A Galano, JR Alvarez–Idaboy
Journal of computational chemistry 27 (11), 1203-1210, 2006
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
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
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
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
Empirically Fitted Parameters for Calculating pKa Values with Small Deviations from Experiments Using a Simple Computational Strategy
A Galano, A Pérez-González, R Castañeda-Arriaga, L Muñoz-Rugeles, ...
Journal of Chemical Information and Modeling 56 (9), 1714-1724, 2016
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
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
Comprehensive investigation of the antioxidant and pro-oxidant effects of phenolic compounds: A double-edged sword in the context of oxidative stress?
R Castañeda-Arriaga, A Pérez-González, M Reina, JR Alvarez-Idaboy, ...
The journal of physical chemistry B 122 (23), 6198-6214, 2018
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Straipsniai 1–20