Leonardo Muñoz‐Rugeles

Empirically Fitted Parameters for Calculating p<i>K</i>_a Values with Small Deviations from Experiments Using a Simple Computational Strategy

Annia Galano, Adriana Pérez‐González, Romina Castañeda‐Arriaga et al. · Journal of Chemical Information and Modeling · 2016 · 147 citations

Natural Sciences, Biochemistry, Chemistry +12

Hydrogen Abstraction Reactions from Phenolic Compounds by Peroxyl Radicals: Multireference Character and Density Functional Theory Rate Constants

Annia Galano, Leonardo Muñoz‐Rugeles, J. Raúl Alvarez‐Idaboy et al. · The Journal of Physical Chemistry A · 2015 · 63 citations

Natural Sciences, Chemistry, Physics +17

The role of acid–base equilibria in formal hydrogen transfer reactions: tryptophan radical repair by uric acid as a paradigmatic case

Leonardo Muñoz‐Rugeles, Annia Galano, J. Raúl Alvarez‐Idaboy · Physical Chemistry Chemical Physics · 2017 · 35 citations

Natural Sciences, Biochemistry, Chemistry +15

Tryptophan: antioxidant or target of oxidative stress? A quantum chemistry elucidation

Adriana Pérez‐González, Leonardo Muñoz‐Rugeles, J. Raúl Alvarez‐Idaboy · RSC Advances · 2014 · 29 citations · Full text

Life Sciences, Biochemistry, Redox Biochemistry +14

A proton–electron sequential transfer mechanism: theoretical evidence about its biological relevance

Leonardo Muñoz‐Rugeles, J. Raúl Alvarez‐Idaboy · Physical Chemistry Chemical Physics · 2015 · 28 citations

Life Sciences, Biochemistry, Chemistry +14