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 (1), 335-352, 2016 | 371 | 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 | 362 | 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 | 287 | 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 | 270 | 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 | 261 | 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 | 238 | 2014 |
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 | 204 | 2019 |
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 | 196 | 2011 |
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 | 150 | 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 | 145 | 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 | 133 | 2002 |
A new approach to counterpoise correction to BSSE A Galano, JR Alvarez–Idaboy Journal of computational chemistry 27 (11), 1203-1210, 2006 | 128 | 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 | 119 | 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 | 118 | 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 | 117 | 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 | 112 | 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 | 105 | 2016 |
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 | 102 | 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 | 101 | 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 | 100 | 2018 |