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The Journal of Physical Chemistry. A|June 25, 2015
Understanding the Highly Varying pKa of Arylamines. A Perspective from the Average Local Ionization Condensed-to-Atom FrameworkEduardo Chamorro, Mario Duque-NoreñaThe Journal of Physical Chemistry. A|January 29, 2013
Intrinsic relative scales of electrophilicity and nucleophilicityEduardo Chamorro, Mario Duque-Noreña, Rafael Notario, et al.The Science of the Total Environment|March 18, 2025
Explainable no-code OECD-compliant machine learning models to predict the mutagenic activity of polycyclic aromatic hydrocarbons and their radical cation metabolitesAndrés Halabi Diaz, Mario Duque-Noreña, Elizabeth Rincón, et al.Physical Chemistry Chemical Physics : PCCP|May 15, 2023
A simple topology-based model for predicting the activation barriers of reactive processes at 0 KLeandro Ayarde-Henríquez, Cristian Guerra, Mario Duque-Noreña, et al.Journal of Chemical Information and Modeling|February 27, 2025
Predicting the Mutagenic Activity of Nitroaromatics Using Conceptual Density Functional Theory Descriptors and Explainable No-Code Machine Learning ApproachesAndrés Halabi Diaz, Mario Duque-Noreña, Elizabeth Rincón, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 22, 2021
Unraveling the Bonding Nature Along the Photochemically Activated Paterno-Büchi Reaction MechanismCristian Guerra, Leandro Ayarde-Henríquez, Mario Duque-Noreña, et al.The Journal of Physical Chemistry. A|December 20, 2021
On Electron Pair Rearrangements in Photochemical Reactions: 1,3-Cyclohexadiene Ring OpeningCristian Guerra, Leandro Ayarde-Henríquez, Mario Duque-Noreña, et al.Journal of Chemical Information and Modeling|November 11, 2024
Synergizing Machine Learning, Conceptual Density Functional Theory, and Biochemistry: No-Code Explainable Predictive Models for Mutagenicity in Aromatic AminesAndrés Halabi Diaz, Mario Duque-Noreña, Elizabeth Rincón, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|June 11, 2022
Photochemically Induced 1,3-Butadiene Ring-Closure from the Topological Analysis of the Electron Localization Function ViewpointCristian Guerra, Leandro Ayarde-Henríquez, Mario Duque-Noreña, et al.Physical Chemistry Chemical Physics : PCCP|October 4, 2023
Revisiting the bonding evolution theory: a fresh perspective on the ammonia pyramidal inversion and bond dissociations in ethane and borazaneLeandro Ayarde-Henríquez, Cristian Guerra, Mario Duque-Noreña, et al.Pageof 2