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 | 118 | 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 | 61 | 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 | 35 | 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 | 30 | 2015 |
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 | 24 | 2018 |
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 | 24 | 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 | 24 | 2014 |
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 | 19 | 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 | 10 | 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 | 8 | 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 | 8 | 2016 |
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 | 7 | 2022 |
Sensitization of Nd3+ Luminescence by Simultaneous Two-Photon Excitation through a Coordinating Polymethinic Antenna J Durán-Hernández, L Munoz-Rugeles, Ó Guzmán-Méndez, M M Reza, ... The Journal of Physical Chemistry A 126 (16), 2498-2510, 2022 | 5 | 2022 |
Salinity and pH effects on water–oil–calcite interfaces by using molecular dynamics A Arboleda-Lamus, L Muñoz-Rugeles, JM Del Campo, N Santos-Santos, ... Physical Chemistry Chemical Physics 26 (19), 14393-14406, 2024 | 2 | 2024 |
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 | 2 | 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 | 2 | 2022 |
Study of the pH effects on water–oil–illite interfaces by molecular dynamics A Arboleda-Lamus, L Muñoz-Rugeles, JM Del Campo, N Santos-Santos, ... Physical Chemistry Chemical Physics, 2025 | | 2025 |
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 | | 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 | | 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 | | 2012 |