PDI - Resultado de Búsqueda

Mario Alberto Duque Noreña

Académico

Universidad Andrés Bello

Santiago, Chile

Organic Chemistry; Physical Chemistry; Conceptual DFT; Bonding Evolution Theory, Pericyclic Reactions; Computational Chemistry

Fisicoquímica Teórica, UNIVERSIDAD ANDRES BELLO. Chile, 2009
Síntesis Orgánica, UNIVERSIDAD DE ANTIOQUIA. Colombia, 1999
Químico, UNIVERSIDAD DE ANTIOQUIA. Colombia, 1996

Académico Full Time

UNIVERSIDAD ANDRES BELLO

Ciencias Exactas

Santiago, Chile

2009 - A la fecha
Profesor PartTime Part Time

UNIVERSIDAD DE ANTIOQUIA

Ciencias Exactas

Medellín, Colombia

1996 - 2002
Académico Ocasional Full Time

UNIVERSIDAD DE ANTIOQUIA

Ciencias Exactas

Medellín, Colombia

2002 - 2003

Académico. Jerarquía Profesor Asistente Full Time

Universidad Andrés Bello

Santiago, Chile

2009 - 2022
Docente y Becario de Doctorado Part Time

Universidad Andrés Bello

Santiago, Chile

2003 - 2009
Docente Ocasional Full Time

Universidad de Antioquia

Medellín, Colombia

2002 - 2003
Docente Part Time

Universidad de Antioquia

Medellín, Chile

1996 - 2002
Académico. Jerarquía Profesor Asociado Full Time

Universidad Andrés Bello

Santiago, Chile

2022 - A la fecha

Daniela Ortega (Licenciatura en Química) – “Estudio de estereo- y regio-selectividad de dienosnucleofi?licos no aroma?ticos en reacciones de Diels- Alder” Universidad Andrés Bello, Chile 2012.

Cristobal Fuentes (Licenciatura en Química) – “Exploracio?n del efecto sustituyente en la formacio?n de enlaces C-C en reacciones 2-aza Diels-Alder” Universidad Andrés Bello, Chile, 2018.

Evelyn Neira Santana (Ingeniería Física) – “Estudio de las BFF en reacciones tipo Diels-Alder utilizando métodos de DFT” Universidad Andrés Bello, Chile, 2020.


Explainable no-code OECD-compliant machine learning models to predict the mutagenic activity of polycyclic aromatic hydrocarbons and their radical cation metabolites Diaz, Andrés Halabi; Duque-Noreña, Mario; RINCON- BEDOYA, ELIZABETH ADRIANA; CHAMORRO-JIMENEZ, EDUARDO ENRIQUE Article WOS Science of the Total Environment (2025)
Synthesis and Characterization of a New Hydrogen-Bond-Stabilized 1,10-Phenanthroline-Phenol Schiff Base: Integrated Spectroscopic, Electrochemical, Theoretical Studies, and Antimicrobial Evaluation Carreno, Alexander; Ancede-Gallardo, Evys; Suarez, Ana G.; Cepeda-Plaza, Marjorie; Duque-Noreña, Mario; Arce, Roxana; Gacitua, Manuel; Lavin, Roberto; Inostroza, Osvaldo; Gil, Fernando; et al. Article ISI Chemistry (Switzerland) (2025)
On Electron Pair Rearrangements in Photochemical Reactions: 1,3-Cyclohexadiene Ring Opening Chamorro, Eduardo Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2022)
On the Notation of Catastrophes in the Framework of Bonding Evolution Theory: Case of Normal and Inverse Electron Demand Diels-Alder Reactions Rincon, Elizabeth; Chamorro, Eduardo Article ISI SCOPUS CHEMPHYSCHEM (2022)
Photochemically Induced 1,3-Butadiene Ring-Closure from the Topological Analysis of the Electron Localization Function Viewpoint Chamorro, Eduardo Article ISI SCOPUS CHEMPHYSCHEM (2022)
Unraveling the role of the electron-pair density symmetry in reaction mechanism patterns: the Newman-Kwart rearrangement Chamorro, Eduardo Article ISI SCOPUS NEW JOURNAL OF CHEMISTRY (2022)
Are There Only Fold Catastrophes in the Diels-Alder Reaction Between Ethylene and 1,3-Butadiene? Rincon, Elizabeth; Chamorro, Eduardo Article ISI SCOPUS Journal of Physical Chemistry A (2021)
On the nature of bonding in the photochemical addition of two ethylenes: C-C bond formation in the excited state? Chamorro, Eduardo Article ISI SCOPUS PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2021)
Rational Design of Novel Glycomimetic Peptides for E-Selectin Targeting Marrugo, Kelly P.; Contreras, Maria A. Article ISI SCOPUS Journal of Chemical Information and Modeling (2021)
Unraveling the Bonding Nature Along the Photochemically Activated Paterno-Buchi Reaction Mechanism Chamorro, Eduardo Article ISI SCOPUS ChemPhysChem (2021)
A Close Look to the Oxaphosphetane Formation along the Wittig Reaction: A [2+2] Cycloaddition? Chamorro, Eduardo; Rincon, Elizabeth Article ISI SCOPUS Journal of Organic Chemistry (2020)
Understanding the sequence of the electronic flow along the HCN/CNH isomerization within a bonding evolution theory quantum topological framework Chamorro, Eduardo; Prado, Yolanda; Gutierrez-Sanchez, Nestor; Rincon, Elizabeth Article ISI SCOPUS THEORETICAL CHEMISTRY ACCOUNTS (2019)
On the electron flow sequence driving the hydrometallation of acetylene by lithium hydride Kaya S.; Rincón, E Article ISI SCOPUS JOURNAL OF MOLECULAR MODELING (2018)
Intrinsic relative nucleophilicity of indoles Duque-Nore?a, Mario; R?os-Guti?rrez, Mar; Domingo, Luis R.; P?rez, Patricia Article ISI SCOPUS THEORETICAL CHEMISTRY ACCOUNTS (2016)
Understanding the carbenoid-type reactivity of nitrile ylides in [3+2] cycloaddition reactions towards electron-deficient ethylenes: a molecular electron density theory study Domingo, Luis R.; R?os-Guti?rrez, Mar; Duque-Nore?a, Mario; P?rez, Patricia Article ISI SCOPUS THEORETICAL CHEMISTRY ACCOUNTS (2016)
Dual Emission of a Novel (P,N) Re-I Complex: A Computational and Experimental Study on [P,N-{(C6H5)(2)(C5H4N)P}Re(CO)(3)Br] Pizarro, N.; Duque, M; Charnorro, E; Nonell S.; Manzur J.; De la Fuente J.R.; Gunther, G.; Cepeda-Plaza M.; Vega A. Article ISI SCOPUS Journal of Physical Chemistry A (2015)
Understanding the Highly Varying pK(a) of Arylamines. A Perspective from the Average Local Ionization Condensed-to-Atom Framework Chamorro E.; Duque-Norena, M Article ISI SCOPUS Journal of Physical Chemistry A (2015)
Understanding the thermal dehydrochlorination reaction of 1-chlorohexane. Revealing the driving bonding pattern at the planar catalytic reaction center Lopez L.; Ruiz, P; Castro, M.; Quijano J.; Duque-Norena, M; Perez, P; Chamorro E. Article ISI SCOPUS RSC Advances (2015)
Average local ionization potential within the framework of the electron localization function Chamorro, Eduardo Enrique; Romagnoli, Pierre Paul Article Scopus INDIAN JOURNAL OF CHEMISTRY (2014)
Understanding the thermal [1s,5s] hydrogen shift isomerization of ocimene Chamorro E.; Ruiz, P; Quijano J.; Luna D.; Restrepo L.; Zuluaga, S; Duque-Norena, M Article ISI SCOPUS JOURNAL OF MOLECULAR MODELING (2014)
Intrinsic Relative Scales of Electrophilicity and Nucleophilicity Chamorro E.; Duque-Norena, M; Notario R.; Perez, P Article ISI SCOPUS Journal of Physical Chemistry A (2013)
Theoretical investigation of the selectivity in intramolecular cyclizations of some 2'aEuro"aminochalcones to dihydroquinolin-8-ones and indolin-3-ones Reyes, A; Cuervo, PA; Orozco F.; Abonia, R; Duque-Norena, M; Perez, P; Chamorro E. Article ISI SCOPUS Journal of Molecular Modeling (2013)
Intrinsic electronic reorganization energy in the electron transfer from substituted N,N-dimethylanilines to phthalimide N-oxyl radical Chamorro E.; Bessolo, J; Duque-Norena, M; Perez, P Article ISI SCOPUS Chemical Physics Letters (2012)
A condensed-to-atom nucleophilicity index. An application to the director effects on the electrophilic aromatic substitutions Perez, P; Domingo L.R.; Duque-Norena, M; Chamorro E. Article ISI SCOPUS JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2009)
Further relationships between theoretical and experimental models of electrophilicity and nucleophilicity Chamorro E.; Duque-Norena, M; Perez, P Article ISI SCOPUS JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2009)
Dual descriptors within the framework of spin-polarized density functional theory Chamorro E.; Perez, P; Duque, M; De Proft F.; Geerlings P. Article ISI SCOPUS JOURNAL OF CHEMICAL PHYSICS (2008)
Condensation of the highest occupied molecular orbital within the electron localization function domains Article ISI JOURNAL OF CHEMICAL SCIENCES (2005)
Synthesis of alpha-hydroxyacetosyringone Archbold, R Article ISI MOLECULES (2000)


Towards an ultra-high resolution macromolecular structural database: analysis of proton acidities and peptide bond deformations by QM calculations, neutron scattering and X-ray crystallography studies. Cachau, RE; Duque-Norena, MA; Niimura, N; Burt, SK Abstract ISI BIOPHYSICAL JOURNAL (2007)


A comparison between theoretical and experimental models of electrophilicity and nucleophilicity Chamorro E.; Duque-Norena, M; Perez, P Review ISI SCOPUS JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2009)