Nota Ignacia:

2026 Ayarde-Henríquez, L.; Guerra, C.J.; Lenes, H.; Rincón, E.; Chamorro, E. Topology Meets Reactivity: Rationalizing Electron Rearrangements in Cycloadditions Through Thom’s Polynomials and Bonding Evolution Theory REACTIONS 1 7 1–22 10.3390/reactions7010001 Review Coautor

2025 Diaz, A.H.; Duque-Noreña, M.; Rincón, E.; Chamorro, E. Predicting the Mutagenic Activity of Nitroaromatics Using Conceptual Density Functional Theory Descriptors and Explainable No-Code Machine Learning Approaches J. Chem. Inf. Model. 6 65 2950–2960 10.1021/acs.jcim.4c02401 Article autor de correspondencia

2025 Diaz, A.H.; Duque-Noreña, M.; Rincón, E.; Chamorro, E. “Explainable no-code OECD-compliant machine learning models to predict the mutagenic activity of polycyclic aromatic hydrocarbons and their radical cation metabolites “Science Total Environment 972 179133 10.1016/j.scitotenv.2025.179133 Article autor de correspondencia

2025 Mühlich, U.; Ramirez, K.; Rincón, E. Simplifying diffusion-reaction modelling of spurt oxidation in bitumen by using a surrogate phase accounting for the collective effect of aromatics, resins and asphaltenes Road Materials and Pavement Design 1-14 10.1080/14680629.2025.2601104 Article Coautor

2024 Diaz, A.H.; Duque-Noreña, M.; Rincón, E.; Chamorro, E. Synergizing Machine Learning, Conceptual Density Functional Theory, and Biochemistry: No-Code Explainable Predictive Models for Mutagenicity in Aromatic Amines J. Chem. Inf. Model. 22 64 8510–8520 10.1021/acs.jcim.4c01246 Article autor de correspondencia

2022 Ayarde-Henríquez, L.; Guerra, C.; Duque-Noreña, M.; Rincón, E.; Pérez, P.; Chamorro, E. On the Notation of Catastrophes in the Framework of Bonding Evolution Theory: Case of Normal and Inverse Electron Demand Diels-Alder Reactions ChemPhysChem 21 23 e202200343 10.1002/cphc.202200343 Article Coautor

2022 Halabi, A.; Rincón, E.; Chamorro, E. Machine learning predictive classification models for the carcinogenic activity of activated metabolites derived from aromatic amines and nitroaromatics Toxicol. in Vitro — 81 105347 10.1016/j.tiv.2022.105347 Article autor de correspondencia

2021 Ayarde-Henríquez, L.; Guerra, C.; Duque-Noreña, M.; Rincón, E.; Pérez, P.; Chamorro, E. Are There Only Fold Catastrophes in the Diels-Alder Reaction Between Ethylene and 1,3-Butadiene? J. Phys. Chem. A 23 125 5152–5165 10.1021/acs.jpca.1c01448 Article Coautor

2020 Chamorro, E.; Duque-Noreña, M.; Gutierrez-Sánchez, N.; Rincón, E.; Domingo, L.R. A Close Look to the Oxaphosphetane Formation along the Wittig Reaction: A [2+2] Cycloaddition? J. Org. Chem. 10 85 6675–6686 10.1021/acs.joc.0c00697 Article autor de correspondencia

2019 Chamorro, E.; Prado, Y.; Duque-Noreña, M.; Gutierrez-Sánchez, N.; Rincón, E. Understanding the sequence of the electronic flow along the HCN/CNH isomerization within a bonding evolution theory quantum topological framework Theor. Chem. Acc. 4 138 60 10.1007/s00214-019-2440-3 Article autor de correspondencia

2019 Chamorro, E.; Rincón, E. Unraveling the sequence of the electronic flow along the water-assisted ring-opening reaction in mutagen MX Theor. Chem. Acc. 1 138 3 10.1007/s00214-018-2384-z Article autor de correspondencia

2018 Chamorro, E.; Duque-Noreña, M.; Kaya, S.; Rincón, E.; Pérez, P. On the electron flow sequence driving the hydrometallation of acetylene by lithium hydride J. Mol. Model. 10 24 305 10.1007/s00894-018-3841-2 Article Coautor

2013 Rincón, E.; Zuloaga, F.; Chamorro, E. Global and local chemical reactivities of mutagen X and simple derivatives J. Mol. Model. 6 19 2573–2582 10.1007/s00894-013-1799-7 Article autor de correspondencia

2007 Rincón, E.; Pérez, P.; Chamorro, E. Global and local reactivity of simple substituted nitrenes and phosphinidenes within the spin-polarized density functional theory framework Chem. Phys. Lett. 4–6 448 273–279 10.1016/j.cplett.2007.09.066 Article autor de correspondencia

2007 Rincón, E.; Yáñez, M.; Toro-Labbé, A. Effect of Ni(II), Cu(II) and Zn(II) association on the keto-enol tautomerism of thymine in the gas phase Phys. Chem. Chem. Phys. 20 9 2531-2537 10.1039/b618050g Article Coautor

2007 Rincón, E.; Toro-Labbé, A. Reaction force and electron localization function analysis of the metal chelation process in Mg(II)-thymine complex Chem. Phys. Lett. 1–3 438 93–98 10.1016/j.cplett.2007.02.007 Article Coautor

2006 Rincón, E.; Jaque, P.,  Toro-Labbé, A. Reaction force analysis of the effect of Mg(II) on the 1,3 intramolecular hydrogen transfer in thymine J. Phys. Chem. A. 30 110 9478-9485 10.1021/jp062870u Article Coautor

2002 Quijano, J.; David, J.; Sánchez, C.; Rincon, E.;Guerra, D.; León, L.A.; Notario, R.; Abboud, J.L. “Ab initio study on the thermolysis of β-hydroxyolefins in gas phase “Journal of Molecular Structure: THEOCHEM 1-3 580 201-205  10.1016/S0166-1280(01)00614-5Copy to clipboard Article Coautor