Energetics of mechanism of OH-propene reaction at low pressures in inert atmosphere. - J. Raúl Alvarez-Idaboy; Irina Díaz-Acosta; Annik Vivier Bunge (J. Comput. Chem., 1998)

Ab-initio study of initial atmospheric oxidation reactions of C3 and C4 alkanes. - Isidoro García-Cruz; M. E. Ruiz-Santoyo; J. Raúl Alvarez-Idaboy; Annik Vivier Bunge (J. Comput. Chem., 1999)

OH hydrogen abstraction reactions from alanine and glycine: A quantum mechanical approach. - Annia Galano; J. Raúl Alvarez-Idaboy; Luis A. Montero; Annik Vivier Bunge (J. Comput. Chem., 2001)

A new approach to counterpoise correction to BSSE. - Annia Galano; J. Raúl Alvarez-Idaboy (J. Comput. Chem., 2006)

A computational methodology for accurate predictions of rate constants in solution: Application to the assessment of primary antioxidant activity. - Annia Galano; J. Raúl Alvarez-Idaboy (J. Comput. Chem., 2013)

Kinetics of radical-molecule reactions in aqueous solution: A benchmark study of the performance of density functional methods. - Annia Galano; Juan Raúl Alvarez-Idaboy (J. Comput. Chem., 2014)

Lipoic Acid and Dihydrolipoic Acid. A Comprehensive Theoretical Study of Their Antioxidant Activity Supported by Available Experimental Kinetic Data. - Romina Castañeda-Arriaga; J. Raúl Alvarez-Idaboy (J. Chem. Inf. Model., 2014)

Assessing the Protective Activity of a Recently Discovered Phenolic Compound against Oxidative Stress Using Computational Chemistry. - Yenny Villuendas-Rey; Juan Raúl Alvarez-Idaboy; Annia Galano (J. Chem. Inf. Model., 2015)

Empirically Fitted Parameters for Calculating pKa Values with Small Deviations from Experiments Using a Simple Computational Strategy. - Annia Galano; Adriana Pérez-González; Romina Castañeda-Arriaga; Leonardo Muñoz-Rugeles; Gabriela Mendoza-Sarmiento; Antonio Romero-Silva; Agustin Ibarra-Escutia; Aida Mariana Rebollar-Zepeda; Jorge Rafael León-Carmona; Manuel Alejandro Hernández-Olivares; Juan Raúl Alvarez-Idaboy (J. Chem. Inf. Model., 2016)

Coumarin-Chalcone Hybrids as Peroxyl Radical Scavengers: Kinetics and Mechanisms. - Gloria Mazzone; Annia Galano; Juan Raúl Alvarez-Idaboy; Nino Russo (J. Chem. Inf. Model., 2016)

Thiophenols, Promising Scavengers of Peroxyl Radicals: Mechanisms and kinetics. - Mirzam Carreon-Gonzalez; Annik Vivier Bunge; Juan Raúl Alvarez-Idaboy (J. Comput. Chem., 2019)

Chemical repair of damaged leucine and tryptophane by thiophenols at close to diffusion-controlled rates: Mechanisms and kinetics. - Mirzam Carreon-Gonzalez; Leonardo Muñoz-Rugeles; Annik Vivier Bunge; Juan Raúl Alvarez-Idaboy (J. Comput. Chem., 2022)