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2020 – today
- 2022
[j12]Mirzam Carreon-Gonzalez
, Leonardo Muñoz-Rugeles, Annik Vivier Bunge, Juan Raúl Alvarez-Idaboy:
Chemical repair of damaged leucine and tryptophane by thiophenols at close to diffusion-controlled rates: Mechanisms and kinetics. J. Comput. Chem. 43(8): 556-567 (2022)
2010 – 2019
- 2019
- [j11]Mirzam Carreon-Gonzalez, Annik Vivier Bunge, Juan Raúl Alvarez-Idaboy:
Thiophenols, Promising Scavengers of Peroxyl Radicals: Mechanisms and kinetics. J. Comput. Chem. 40(24): 2103-2110 (2019) - 2016
- [j10]Gloria Mazzone, Annia Galano, Juan Raúl Alvarez-Idaboy, Nino Russo:
Coumarin-Chalcone Hybrids as Peroxyl Radical Scavengers: Kinetics and Mechanisms. J. Chem. Inf. Model. 56(4): 662-670 (2016) - [j9]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:
Empirically Fitted Parameters for Calculating pKa Values with Small Deviations from Experiments Using a Simple Computational Strategy. J. Chem. Inf. Model. 56(9): 1714-1724 (2016) - 2015
- [j8]Yenny Villuendas-Rey, Juan Raúl Alvarez-Idaboy, Annia Galano:
Assessing the Protective Activity of a Recently Discovered Phenolic Compound against Oxidative Stress Using Computational Chemistry. J. Chem. Inf. Model. 55(12): 2552-2561 (2015) - 2014
- [j7]Annia Galano, Juan Raúl Alvarez-Idaboy:
Kinetics of radical-molecule reactions in aqueous solution: A benchmark study of the performance of density functional methods. J. Comput. Chem. 35(28): 2019-2026 (2014) - [j6]Romina Castañeda-Arriaga, J. Raúl Alvarez-Idaboy:
Lipoic Acid and Dihydrolipoic Acid. A Comprehensive Theoretical Study of Their Antioxidant Activity Supported by Available Experimental Kinetic Data. J. Chem. Inf. Model. 54(6): 1642-1652 (2014) - 2013
- [j5]Annia Galano, J. Raúl Alvarez-Idaboy:
A computational methodology for accurate predictions of rate constants in solution: Application to the assessment of primary antioxidant activity. J. Comput. Chem. 34(28): 2430-2445 (2013)
2000 – 2009
- 2006
- [j4]Annia Galano, J. Raúl Alvarez-Idaboy:
A new approach to counterpoise correction to BSSE. J. Comput. Chem. 27(11): 1203-1210 (2006) - 2001
- [j3]Annia Galano, J. Raúl Alvarez-Idaboy, Luis A. Montero, Annik Vivier Bunge:
OH hydrogen abstraction reactions from alanine and glycine: A quantum mechanical approach. J. Comput. Chem. 22(11): 1138-1153 (2001)
1990 – 1999
- 1999
- [j2]Isidoro García-Cruz, M. E. Ruiz-Santoyo, J. Raúl Alvarez-Idaboy, Annik Vivier Bunge:
Ab-initio study of initial atmospheric oxidation reactions of C3 and C4 alkanes. J. Comput. Chem. 20(8): 845-856 (1999) - 1998
- [j1]J. Raúl Alvarez-Idaboy, Irina Díaz-Acosta, Annik Vivier Bunge:
Energetics of mechanism of OH-propene reaction at low pressures in inert atmosphere. J. Comput. Chem. 19(8): 811-819 (1998)
Coauthor Index
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