Leonardo Muñoz-Rugeles
Leonardo Muñoz-Rugeles
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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
Hydrogen abstraction reactions from phenolic compounds by peroxyl radicals: multireference character and density functional theory rate constants
A Galano, L Muñoz-Rugeles, JR Alvarez-Idaboy, JL Bao, DG Truhlar
The Journal of Physical Chemistry A 120 (27), 4634-4642, 2016
The role of acid–base equilibria in formal hydrogen transfer reactions: tryptophan radical repair by uric acid as a paradigmatic case
L Muñoz-Rugeles, A Galano, JR Alvarez-Idaboy
Physical Chemistry Chemical Physics 19 (23), 15296-15309, 2017
A proton–electron sequential transfer mechanism: theoretical evidence about its biological relevance
L Muñoz-Rugeles, JR Alvarez-Idaboy
Physical Chemistry Chemical Physics 17 (43), 28525-28528, 2015
Non-covalent π–π stacking interactions turn off non-adiabatic effects in proton-coupled electron transfer reactions
L Muñoz-Rugeles, A Galano, JR Alvarez-Idaboy
Physical Chemistry Chemical Physics 19 (10), 6969-6972, 2017
Tryptophan: antioxidant or target of oxidative stress? A quantum chemistry elucidation
A Perez-Gonzalez, L Muñoz-Rugeles, JR Alvarez-Idaboy
RSC Advances 4 (99), 56128-56131, 2014
The other side of the superoxide radical anion: its ability to chemically repair DNA oxidized sites
L Muñoz-Rugeles, A Galano, JR Alvarez-Idaboy
Chemical Communications 54 (97), 13710-13713, 2018
Synthesis and photodynamics of stilbenyl‐azopyrroles: Two‐photon controllable photoswitching systems
L Muñoz‐Rugeles, D Gallardo‐Rosas, J Durán‐Hernández, ...
ChemPhotoChem 4 (2), 144-154, 2020
Two-photon induced isomerization through a cyaninic molecular antenna in azo compounds
E Villatoro, L Muñoz-Rugeles, J Durán-Hernández, B Salcido-Santacruz, ...
Chemical Communications 57 (25), 3123-3126, 2021
Wettability of graphene oxide functionalized with N-alkylamines: a molecular dynamics study
L Muñoz-Rugeles, BA Arenas-Blanco, JM Del Campo, E Mejía-Ospino
Physical Chemistry Chemical Physics 24 (18), 11412-11419, 2022
Tryptophan versus nitric oxide, nitrogen dioxide and carbonate radicals: differences in reactivity and implications for oxidative damage to proteins
A Pérez-González, L Muñoz-Rugeles, JR Alvarez-Idaboy
Theoretical Chemistry Accounts 135, 1-9, 2016
Sensitization of Nd3+ Luminescence by Simultaneous Two-Photon Excitation through a Coordinating Polymethinic Antenna
J Durán-Hernández, L Muñoz-Rugeles, Ó Guzmán-Méndez, M M Reza, ...
The Journal of Physical Chemistry A 126 (16), 2498-2510, 2022
Chemical repair of damaged leucine and tryptophane by thiophenols at close to diffusion‐controlled rates: Mechanisms and kinetics
M Carreon‐Gonzalez, L Muñoz‐Rugeles, A Vivier‐Bunge, ...
Journal of Computational Chemistry 43 (8), 556-567, 2022
Primary Photophysics of Nicotinamide Chromophores in Their Oxidized and Reduced Forms
MM Reza, J Durán-Hernández, B González-Cano, J Jara-Cortés, ...
The Journal of Physical Chemistry B 127 (39), 8432-8445, 2023
Molecular Dynamics study of the effect on the interfacial activity of Alkylamine-Modified graphene oxide
BA Arenas-Blanco, L Munoz-Rugeles, R Cabanzo-Hernandez, ...
Journal of Molecular Liquids 362, 119724, 2022
Chemical repair mechanisms of damaged tyrosyl and tryptophanyl residues in proteins by the superoxide radical anion
L Muñoz-Rugeles, A Galano, JR Alvarez-Idaboy
New Journal of Chemistry 44 (6), 2505-2513, 2020
Photodissociation and Photoionization of Propanaldehyde at 355 nm. Theory and experiment.
C Cisneros, L Muñoz-Rugeles, A Guerrero, I Alvarez
APS Division of Atomic, Molecular and Optical Physics Meeting Abstracts 2013 …, 2013
Transition limit regimen between multiphoton and barrier suppression ionization. Analysis of Benzene, Coronene and Circumcoronene
JC Poveda, L Muñoz, I Álvarez, C Cisneros
Journal of Physics: Conference Series 388 (3), 032046, 2012
Enhancement of the stimulated Raman scattering of benzene, acetonitrile and pyridine
OAREMO L Muñoz, W A Contreras, R Cabanzo
Journal of Physics: Conference Series 274 (012080), 1-4, 2011
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Artículos 1–19