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EDUARDO ENRIQUE CHAMORRO JIMENEZ

Director CENTRO DE QUIMICA TEÓRICA & COMPUTACIONAL (CQT&C)

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

Chemical Reactivity; Theoretical Physical Chemistry; Conceptual Density Functional Theory; Structure and Chemical Bonding; Electrophilicity/Nucleophilicity; Bonding Evolution Theory; Pericyclic Reactions

Fisicoquímica Teórica, UNIVERSIDAD DE CHILE. Chile, 2001
QUIMICO, UNIVERSIDAD DE ANTIOQUIA. Colombia, 1996

Investigador Postdoctoral Full Time

UNIVERSIDAD DE CHILE

Facultad de Ciencias

Santiago, Chile

2002 - 2003
Postdoctoral Researcher Full Time

VRIJE UNIVERSITEIT BRUSSEL

Faculteit Wetenschappen en Bio-ingenieurswetenschappen

Bruselas, Bélgica

2005 - 2006

Academico Full Time

Universidad Andres Bello

Santiago, Chile

2003 - A la fecha
Director de Departamento de Ciencias Químicas Full Time

Universidad Andres Bello

Santiago, Chile

2008 - 2016
Director General de Investigación Full Time

Universidad Andres Bello

Santiago, Chile

2016 - 2019
Académico. Jerarquía Profesor Asistente Full Time

Universidad Andres Bello

Santiago, Chile

2003 - 2005
Académico. Jerarquía Profesor Asociado Full Time

Universidad Andres Bello

Chile

2006 - 2012
Académico. Jerarquía Profesor Titular Full Time

Universidad Andres Bello

Santiago, Chile

2013 - A la fecha
Director Doctorado en Fisicoquímca Molecular Full Time

Universidad Andres Bello

Santiago, Chile

2019 - 2022
DIRECTOR CENTRO DE QUIMICA TEÓRICA & COMPUTACIONAL (CQT&C) Full Time

UNIVERSIDAD ANDRES BELLO

SANTIAGO, Chile

2022 - 2024
ACADEMICO Full Time

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

2003 - A la fecha

1. (Doctoral) Dr. Carlos Cárdenas Valencia (2003-2007). “Chemical reactivity within the context of density functional theory”. Programa de Doctorado en Fisicoquímica Molecular. UNAB-Chile. Actualmente Dr. Cárdenas obstenta una posición académica de jornada completa en el Departamento de Física, Facultad de Ciencias, Universidad de Chile.

2. (Doctoral) Dr. Mario A. Duque-Noreña (2006-2009) “An exploration of local density functional theory reactivity indicators”. Programa de Doctorado en Fisicoquímica Molecular. UNAB Chile 2009. Actualmente Dr. Duque obstenta una posición académica de jornada completa en el Departamento de Ciencias Químicas, Facultad de Ciencias Exactas, Universidad Andrés Bello.

3. (Doctoral) Dr. Jorge A. Bessolo Muñoz. (2008-2012) “Development and application of electron and charge transfers within a conceptual density functional theory framework” Programa de Doctorado en Fisicoquímica Molecular. UNAB-Chile. Actualmente Dr. Bessolo se desempeña en el sector industrial (laboratorio Andes Control).

4. (Post-Doctoral) Dr. German Eduardo Barriga (2012-2014) “Reactivity of antioxidants and spin-trap free radicals within the context of spin polarized density functional theory (SP-DFT)”. Dr. Barriga obtuvo su grado de doctor de Universidad de Chile in Junio 2011, uniéndose a nuestro grupo con proyecto Post-doctoral de CONICYT-Chile. Actualmente el Dr. Barriga realiza trabajos académicos (part time) en la USACH y UNAB.

5. (Post-Doctoral) Dra. Mar Rios (2019-2022) “La Teoría de la Densidad Electrónica Molecular como nuevo Paradigma de Reactividad Química”. Dra. Rios obtuvo su grado de doctor de Universidad de Valencia (España) Marzo 2018. Proyecto adjudicado FONDECYT POSTDOCTORADO 2019.

6. (Doctoral) Dr. Cristian Guerra (2019-2022 ). “Enlace químico y deslocalización electrónica en estados excitados.El caso de las reacciones pericíclicas” Programa de Doctorado en Fisicoquímica Molecular. UNAB-Chile.

7. (Doctoral) Dr. Leandro Ayarde (2019-2022 ) . “Identificación y Caracterización de Huellas Topológicas en Reacciones Químicas” Programa de Doctorado en Fisicoquímica Molecular. UNAB-Chile.

8. (Doctoral) Dr.(C). Jerónimo Lira (2020-2023 ) . “Spin Polarized Chemical Reactivity within Density Functional Theory at Finite Temperature” Programa de Doctorado en Fisicoquímica Molecular. UNAB-Chile.

9. (Doctoral) Dr.(C). BORIS MAULEN (2021- ) En Desarrollo. “Understanding Electronic Temperature within Superstatistic Framework" Programa de Doctorado en Fisicoquímica Molecular. UNAB-Chile.

10. (Doctoral) Dr.(C). JULIO BARRIOS (2021- ) En Desarrollo. “Desarrollo de una Metodología Hibrida Considerando Descriptores de Reactividad y Enlace Químico para Explorar la Superficie de Energía Potencial de Clústeres Atómicos y Moleculares" Programa de Doctorado en Fisicoquímica Molecular. UNAB-Chile.

11. (Doctoral) Dr.(C). NESTOR GUTIERREZ (2021- ) En Desarrollo. “Comprendiendo el enlace químico en sistemas de interés biológico" Programa de Doctorado en Fisicoquímica Molecular. UNAB-Chile.

12. (Doctoral) Dr. (C) José Luis Burgos (2022-) En Desarrollo.“Estudio de propiedades mecánicas y caracterización de enlace en materiales bidimensionales con átomos hipercoordinados planos”. Programa de Doctorado en Fisicoquímica Molecular. UNAB-Chile.

13. (Doctoral) Dr. (C) María Gabriela Campos (2023-) En Desarrollo. “Elucidation of the Influence of Structural and Electronic Properties on Li+ and Na+ Diffusion in Polymer Electrolyte for Battery Applications”. Programa de Doctorado en Fisicoquímica Molecular. UNAB-Chile.

14. (Doctoral) Dr. (C) Julieth Escorcia (2023-) En Desarrollo.“Predicción de Mutagenicidad de Compuestos Carbonílicos ?,?-insaturados: Un enfoque basado en quimiotopología y aprendizaje de máquina”. Programa de Doctorado en Fisicoquímica Molecular. UNAB-Chile.

15. (Doctoral) Dr. (C) Hans Lenes (2023-) En Desarrollo.“Estudio teórico y computacional de la etapa de transmetalación en la reacción de Suzuki-Miyaura”. Programa de Doctorado en Fisicoquímica Molecular. UNAB-Chile.

16. (Doctoral) Dr. (C) Andrés Halabi (2023-) En Desarrollo. “Predictive Models for Evaluating Mutagenic and Carcinogenic Activities in Aromatic Amines, Nitroaromatics, Nitrosoaromatics, and Polycyclic Aromatic Hydrocarbons”. Programa de Doctorado en Fisicoquímica Molecular. UNAB-Chile.

Otras responsabilidades académicas y administrativas:

2004-2006: Investigador del Programa Ciencia de Frontera – Academia Chilena de Ciencias. http://www.academiadeciencias.cl
2003-2014: Miembro del Comité Académico del Programa de Doctorado en Fisicoquímica Molecular.
2012-2014: Miembro del Grupo de Estudio de Química. FONDECYT
Oct. 2008-Abri. 2016: Director Departamento de Ciencias Químicas. Universidad Andrés Bello
May. 2016-May. 2019: Director General de Investigación. Universidad Andrés Bello
2008 al presente: Miembro (Coordinador) del Comité de Área de Química de la Comisión Nacional de Acreditación (CNA)-Chile
2023 al presente: Par Evaluador Middle States Commission for Higher Education (MSCHE)-USA
Jun. 2019- Jun 2022: Director Programa de Doctorado en Fisicoquímica Molecular. Universidad Andrés Bello.
Jun. 2022- presente: Director CENTRO DE QUÍMICA TEÓRICA & COMPUTACIONAL (CQT&C). Universidad Andrés Bello.


A simple topology-based model for predicting the activation barriers of reactive processes at 0 K Ayarde-Henriquez, Leandro; Guerra, Cristian; Duque-Norena, Mario; Chamorro, Eduardo Article ISI PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2023)
Elucidating the N-N and C-N Bond-breaking Mechanism in the Photoinduced Formation of Nitrile Imine Guerra, Cristian; Ayarde-Henriquez, Leandro; Rodriguez-Nunez, Yeray A.; Ensuncho, Adolfo; Chamorro, Eduardo Article ISI CHEMPHYSCHEM (2023)
Mechanistic insights into benzyne formation via 1,2-di-iodobenzene photolysis Guerra, Cristian; Ayarde-Henriquez, Leandro; Rodriguez-Nunez, Yeray A.; Chamorro, Eduardo; Ensuncho, Adolfo E. Article ISI NEW JOURNAL OF CHEMISTRY (2023)
Revisiting the bonding evolution theory: a fresh perspective on the ammonia pyramidal inversion and bond dissociations in ethane and borazane Ayarde-Henriquez, Leandro; Guerra, Cristian; Duque-Norena, Mario; Chamorro, Eduardo Article ISI PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2023)
Theoretical study of cyano-promoted intramolecular aza-Diels-Alder reaction Lai, Chin-Hung; Yang, Cheng-En; Wu, Yang-Chang; El Bakri, Youness; Chamorro, Eduardo; Chuang, Ta-Hsien Article ISI JOURNAL OF PHYSICAL ORGANIC CHEMISTRY (2023)
Uncovering Triradicaloid Structures in S<sub>1</sub> Benzene Photochemistry Guerra, Cristian; Ayarde-Henriquez, Leandro; Chamorro, Eduardo; Ensuncho, Adolfo Article ISI CHEMPHOTOCHEM (2023)
On Electron Pair Rearrangements in Photochemical Reactions: 1,3-Cyclohexadiene Ring Opening Guerra, Cristian; Ayarde-Henriquez, Leandro; Duque-Norena, Mario; Chamorro, Eduardo Article ISI 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 Ayarde-Henriquez, Leandro; Guerra, Cristian; Duque-Norena, Mario; Rincon, Elizabeth; Perez, Patricia; Chamorro, Eduardo Article ISI CHEMPHYSCHEM (2022)
Photochemically Induced 1,3-Butadiene Ring-Closure from the Topological Analysis of the Electron Localization Function Viewpoint Guerra, Cristian; Ayarde-Henriquez, Leandro; Duque-Norena, Mario; Chamorro, Eduardo Article ISI CHEMPHYSCHEM (2022)
Unraveling the role of the electron-pair density symmetry in reaction mechanism patterns: the Newman-Kwart rearrangement Ayarde-Henriquez, Leandro; Guerra, Cristian; Duque-Norena, Mario; Chamorro, Eduardo Article ISI NEW JOURNAL OF CHEMISTRY (2022)
A physiologic rise in cytoplasmic calcium ion signal increases pannexin1 channel activity via a C-terminus phosphorylation by CaMKII Lopez, Ximena; Palacios-Prado, Nicolas; Guiza, Juan; Escamilla, Rosalba; Fernandez, Paola; Vega, Jose L.; Rojas, Maximiliano; Marquez-Miranda, Valeria; Chamorro, Eduardo; Cardenas, Ana M.; Maldifassi, Maria Constanza; Martinez, Agustin D.; Duarte, Yorley; Gonzalez-Nilo, Fernando D.; Saez, Juan C. Article ISI PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2021)
Are There Only Fold Catastrophes in the Diels-Alder Reaction Between Ethylene and 1,3-Butadiene? Ayarde-Henriquez, Leandro; Guerra, Cristian; Duque-Norena, Mario; Rincon, Elizabeth; Perez, Patricia; Chamorro, Eduardo Article ISI 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? Guerra, Cristian; Ayarde-Henriquez, Leandro; Duque-Norena, Mario; Cardenas, Carlos; Perez, Patricia; Chamorro, Eduardo Article ISI PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2021)
Unraveling the Bonding Nature Along the Photochemically Activated Paterno-Buchi Reaction Mechanism Guerra, Cristian; Ayarde-Henriquez, Leandro; Duque-Norena, Mario; Chamorro, Eduardo Article ISI CHEMPHYSCHEM (2021)
A Close Look to the Oxaphosphetane Formation along the Wittig Reaction: A [2+2] Cycloaddition? Chamorro, Eduardo; Duque-Noreña, Mario; Gutierrez-Sanchez, Nestor; Rincon, Elizabeth; Domingo, Luis R. Article JOURNAL OF ORGANIC CHEMISTRY (2020)
Conceptual density functional theory: status, prospects, issues Geerlings P.; Chamorro E.; Chattaraj P.K.; De Proft F.; GÃ¡zquez J.L.; Liu S.; Morell C.; Toro-LabbÃ© A.; Vela A.; Ayers P. Article ISI SCOPUS THEORETICAL CHEMISTRY ACCOUNTS (2020)
Are one-step aromatic nucleophilic substitutions of non-activated benzenes concerted processes? Domingo L.R.; RÃos-GutiÃ©rrez M.; Chamorro E.; PÃ©rez P. Article ISI SCOPUS ORGANIC & BIOMOLECULAR CHEMISTRY (2019)
Understanding the sequence of the electronic flow along the HCN/CNH isomerization within a bonding evolution theory quantum topological framework Chamorro, Eduardo; Prado, Yolanda; Duque-Norena, Mario; Gutierrez-Sanchez, Nestor; Rincon, Elizabeth Article ISI SCOPUS THEORETICAL CHEMISTRY ACCOUNTS (2019)
Unraveling the sequence of the electronic flow along the water-assisted ring-opening reaction in mutagen MX Chamorro, E; Rincon, E Article ISI SCOPUS THEORETICAL CHEMISTRY ACCOUNTS (2019)
On the electron flow sequence driving the hydrometallation of acetylene by lithium hydride Chamorro, E; Duque-Norena, M; Kaya, S; Rincon, E; Perez, P Article ISI SCOPUS JOURNAL OF MOLECULAR MODELING (2018)
Reaction Electronic Flux Perspective on the Mechanism of the Zimmerman Di-pi-methane Rearrangement Matute, Ricardo A.; Perez, Patricia; Chamorro, Eduardo; Villegas-Escobar, Nery; Cortes-Arriagada, Diego; Herrera, Barbara; Gutierrez-Oliva, Soledad; Toro-Labbe, Alejandro Article ISI SCOPUS JOURNAL OF ORGANIC CHEMISTRY (2018)
Electrophilic activation of CO2 in cycloaddition reactions towards a nucleophilic carbenoid intermediate=> new defying insights from the Molecular Electron Density Theory Domingo, Luis R.; Rios-Gutierrez, Mar; Chamorro, Eduardo; Pérez, Patricia Article THEORETICAL CHEMISTRY ACCOUNTS (2017)
Kinetics and photophysical behavior of the P,N-Re-I complex [P,N-{(C6H5)(2)(C5H4N)P}Re(CO)(3)(O-O3SCF3)]: A directly coordinated (and labile) triflate Prado, Gaspar; Ibañez, María Belén; Acosta, Alison; Chamorro, Eduardo; Hermosilla-Ibáñez, Patricio; Günther, Germán; Pizarro, Nancy; Vega, Andrés Article ISI SCOPUS POLYHEDRON (2017)
New insights from the relation between lattice energy and bond stretching force constant in simple ionic compounds Kaya, Savas; Chamorro, Eduardo; Petrov, Dimitar; Kaya, Cemal Article ISI SCOPUS POLYHEDRON (2017)
Understanding the kinetics of carbon-hydrogen reaction: Insights from reaction mechanisms on zigzag edges for homogeneous and heterogeneous formation of methane Calderon, Lucas A.; Chamorro, Eduardo; Espinal, Juan F. Article ISI SCOPUS CARBON (2017)
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, Nancy; Duque, Mario; Chamorro, Eduardo; Nonell, Santi; Manzur, Jorge; de la Fuente, Julio R.; Gunther, German; Cepeda-Plaza, Marjorie; Vega, Andres Article WOS Core Collection ISI, SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2016)
Aromaticity in Pericyclic Transition State Structures? A Critical Rationalisation Based on the Topological Analysis of Electron Density Domingo, Luis R.; Ríos-Gutiérrez, Mar; Chamorro, Eduardo; Pérez, Patricia Article ISI Chemistryselect (2016)
Aromaticity in Pericyclic Transition State Structures? A Critical Rationalisation Based on the Topological Analysis of Electron Density Domingo, Luis R.; Rios-Gutierrez, Mar; Chamorro, Eduardo; Pérez, Patricia Article CHEMISTRYSELECT (2016)
Electrophilic activation of CO2 in cycloaddition reactions towards a nucleophilic carbenoid intermediate: new defying insights from the Molecular Electron Density Theory Domingo, Luis R.; Ríos-Gutiérrez, Mar; Chamorro, Eduardo; Pérez, Patricia Article ISI Theoretical Chemistry Accounts (2016)
EVALUATION OF THE ANTIOXIDANT ACTIVITY OF THE FLAVONOIDS ISOLATED FROM HELIOTROPIUM SINUATUM RESIN USING ORAC FL, DPPH AND ESR METHODOLOGIES GERMÁN BARRIGA-GONZÁLEZ; Eduardo Chamorro; MELISSA SALINAS; brenda modak; Claudio Olea-Azar Article ISI SCIELO SCOPUS JOURNAL OF THE CHILEAN CHEMICAL SOCIETY (2016)
Fluorescence Quenching of a Benzimidazolium-based Probe for Selective Detection of Picric Acid in Aqueous Medium Joshi, Sunita; Kumari, Santosh; Chamorro, Eduardo; Pant, Debi D.; Sakhuja, Rajeev Article ISI Chemistryselect (2016)
Intrinsic relative nucleophilicity of indoles Chamorro, Eduardo; Duque-Nore?a, Mario; R?os-Guti?rrez, Mar; Domingo, Luis R.; P?rez, Patricia Article ISI SCOPUS THEORETICAL CHEMISTRY ACCOUNTS (2016)
Mechanisms for homogeneous and heterogeneous formation of methane during the carbon-hydrogen reaction over zigzag edge sites Calderón L.A.; Chamorro, E.; Espinal J.F. Article ISI SCOPUS Carbon (2016)
Understanding the [2n+2n] reaction mechanism between a carbenoid intermediate and CO2 Domingo, L.R.; Ríos-Gutiérrez M.; Perez, P.; Chamorro, E. Article ISI SCOPUS Molecular Physics (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; Chamorro, Eduardo; P?rez, Patricia Article ISI SCOPUS THEORETICAL CHEMISTRY ACCOUNTS (2016)
A computational and conceptual DFT study on the mechanism of hydrogen activation by novel frustrated Lewis pairs Perez, P.; Yepes D.; Jaque, P; Chamorro, E.; Domingo, LR; Rojas, RS; Toro-Labbe, A Article ISI SCOPUS Physical Chemistry Chemical Physics (2015)
Dual Emission of a Novel (P,N) ReI Complex: A Computational and Experimental Study on [P,N-{(C6H5)2(C5H4N)P}Re(CO)3Br]. Pizarro, N.; Duque, M.; Chamorro, E.; Nonell, S.; Manzur, J.; De la Fuente, J.R.; Günther, G.; Cepeda-Plaza, M.; Vega, A. Article Journal of Physical Chemistry A (2015)
On the intrinsic reactivity index for electrophilicity/nucleophilicity responses Chamorro, E.; Melin, J Article ISI SCOPUS Journal of Molecular Modeling (2015)
Structural and photophysical properties of [(CO)(3)(phen) Re(mu-Br)Re(phen)(CO)(3)](+)[(CO)(3)(+)[Re(mu-Br)(3)Re(CO)(3)](-): Where does its luminescence come from? Gallardo H.; Cepeda-Plaza, M; Nonell, S; Gunther, G.; Chamorro, E.; Pizarro N.; Vega A. Article ISI SCOPUS POLYHEDRON (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 López, L.; Ruiz, P; Castro M.; Quijano J.; Duque-Norena, M; Perez, P.; Chamorro, E. Article ISI SCOPUS JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING (2015)
Average local ionization potential within the framework of the electron localization function Chamorro, E.; Perez, P.; Duque-Norena, M; Romagnoli, PP; Pons, D; Gonzalez, M. Article ISI SCOPUS INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL 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)
Fukui and dual-descriptor matrices within the framework of spin-polarized density functional theory Alcoba, DR; Lain, L; Torre, A; Ona, OB; Chamorro, E. Article ISI SCOPUS Physical Chemistry Chemical Physics (2013)
Global and local chemical reactivities of mutagen X and simple derivatives Rincon, E; Zuloaga F.; Chamorro, E. Article ISI SCOPUS Journal of Molecular Modeling (2013)
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)
Isoelectronic and isolobal O, CH2, CH3 + and BH 3 as electron pairs; Similarities between molecular and solid-state chemistry Vegas A.; Notario R.; Chamorro, E.; PÃ©rez P.; Liebman J.F. Article SCOPUS Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials (2013)
Isoelectronic and isolobal O, CH2, CH3+ and BH3 as electron pairs; similarities between molecular and solid-state chemistry Vegas A.; Notario R.; Chamorro, E.; Perez, P.; Liebman, JF Article ISI SCOPUS Acta Crystallographica Section B: Structural Science (2013)
On the nature of Parr functions to predict the most reactive sites along organic polar reactions Chamorro, E.; Perez, P.; Domingo, LR Article ISI SCOPUS Chemical Physics Letters (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)
Theoretical Analysis of Substituted Diels - Alder Reagents to Determine the Polar or Non Polar Character of the Reaction Perez, P.; Chamorro, E. Article ISI SCOPUS Letters in Organic Chemistry (2011)
Global and local reactivity of N-heterocyclic carbenes with boron and phosphorus atoms: An analysis based on spin polarized density functional framework Perez, P.; Chamorro, E. Article ISI SCOPUS Journal of Molecular Structure: THEOCHEM (2010)
Understanding the High Reactivity of the Azomethine Ylides in [3+2] Cycloaddition Reactions Domingo, LR; Chamorro, E.; Perez, P. Article SCOPUS Letters in Organic Chemistry (2010)
Understanding the mechanism of non-polar Diels-Alder reactions. A comparative ELF analysis of concerted and stepwise diradical mechanisms Domingo, LR; Chamorro, E.; Perez, P. Article ISI SCOPUS ORGANIC AND BIOMOLECULAR CHEMISTRY (2010)
A Combined Experimental and Theoretical Study of the Polar [3+2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines Bentabed-Ababsa, G; Derdour, A; Roisnel T.; Saez, JA; Perez, P.; Chamorro, E.; Domingo, LR; Mongin, F Article ISI SCOPUS JOURNAL OF ORGANIC CHEMISTRY (2009)
A condensed-to-atom nucleophilicity index. An application to the director effects on the electrophilic aromatic substitutions Perez, P.; Domingo, LR; Duque-Norena, M; Chamorro, E. Article ISI SCOPUS JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2009)
An Analysis of the Regioselectivity of 1,3-Dipolar Cycloaddition Reactions of Benzonitrile N-Oxides Based on Global and Local Electrophilicity and Nucleophilicity Indices Domingo, LR; Chamorro, E.; Perez, P. Article ISI SCOPUS EUROPEAN JOURNAL OF ORGANIC CHEMISTRY (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)
A further exploration of a nucleophilicity index based on the gas-phase ionization potentials Jaramillo, P; Domingo, LR; Chamorro, E.; Perez, P. Article ISI SCOPUS JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2008)
An understanding of the electrophilic/nucleophilic behavior of electro-deficient 2,3-disubstituted 1,3-butadienes in polar Diels-Alder reactions. A density functional theory study Domingo, LR; Chamorro, E.; Perez, P. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2008)
Chapter 5 Understanding and using the electron localization function Fuentealba P.; Chamorro, E.; Santos, J. C. Article SCOPUS Theor Comput Chem (2008)
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)
Theoretical study of the surface reactivity of alkaline earth oxides: Local density of states evaluation of the local softness Cárdenas C; De Proft F.; Chamorro, E.; Fuentealba P.; Geerlings P. Article ISI SCOPUS JOURNAL OF CHEMICAL PHYSICS (2008)
A theoretical scale for pericyclic and pseudopericyclic reactions Chamorro, E.; Notario R.; Santos, JC; Perez, P. Article ISI SCOPUS CHEMICAL PHYSICS LETTERS (2007)
Borazine: to be or not to be aromatic Islas, R; Chamorro, E.; Robles J.; Heine, T; Santos, JC; Merino, G Article ISI SCOPUS STRUCTURAL CHEMISTRY (2007)
Further exploration of the Fukui function, hardness, and other reactivity indices and its relationships within the Kohn-Sham scheme Fuentealba P.; Chamorro, E.; Cárdenas C Article ISI SCOPUS INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2007)
Global and local reactivity of simple substituted nitrenes and phosphinidenes within the spin-polarized density functional theory framework Rincon, E; Perez, P.; Chamorro, E. Article ISI SCOPUS CHEMICAL PHYSICS LETTERS (2007)
Nuclear fukui functions from nonintegral electron number calculations Cárdenas C; Chamorro, E.; Galván M.; Fuentealba P. Article ISI SCOPUS INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2007)
Electrophilicity and spin polarization of simple substituted silylenes Chamorro, E.; Santos, JC; Escobar, CA; Perez, P. Article ISI SCOPUS CHEMICAL PHYSICS LETTERS (2006)
Philicity indices within the spin-polarized density-functional theory framework Chamorro, E.; Perez, P.; De Proft F.; Geerlings P. Article ISI SCOPUS JOURNAL OF CHEMICAL PHYSICS (2006)
Comment on the nature of bonding in the thermal cyclization of (Z)-1,2,4,6-heptatetraene and its heterosubstituted analogues" - Reply" Chamorro, EE; Notario R. Article ISI JOURNAL OF PHYSICAL CHEMISTRY B (2005)
Comparison among four different ways to condense the Fukui function Tiznado, W; Chamorro, E.; Contreras R.; Fuentealba P. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2005)
Condensation of the highest occupied molecular orbital within the electron localization function domains Chamorro, E.; Duque, M.; Cárdenas C; Santos, C; Tiznado, W; Fuentealba P. Article ISI SCOPUS Journal of Chemical Sciences (2005)
Condensed-to-atoms electronic Fukui functions within the framework of spin-polarized density-functional theory Chamorro, E.; Perez, P. Article ISI SCOPUS JOURNAL OF CHEMICAL PHYSICS (2005)
Empirical energy - Density relationships applied to the analysis of the basicity of strong organic superbases Chamorro, E.; Escobar, CA; Sienra, R; Perez, P. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2005)
Generalized nuclear Fukui functions in the framework of spin-polarized density-functional theory Chamorro, E.; De Proft F.; Geerlings P. Article ISI SCOPUS JOURNAL OF CHEMICAL PHYSICS (2005)
Hardness and softness reactivity kernels within the spin-polarized density-functional theory Chamorro, E.; De Proft F.; Geerlings P. Article ISI SCOPUS JOURNAL OF CHEMICAL PHYSICS (2005)
Nature of bonding in the cyclization reactions of (2-ethynylphenyl)triazene and 2-ethynylstyrene Cárdenas C; Chamorro, E.; Notario R. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2005)
Condensation of frontier molecular orbital Fukui functions Bulat, FA; Chamorro, E.; Fuentealba P.; Toro-Labbe, A Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2004)
Local reactivity index as descriptor of benzene adsorption in cluster models of exchanged zeolite-Y Santos, JC; Chamorro, E.; Contreras R.; Fuentealba P. Article ISI SCOPUS CHEMICAL PHYSICS LETTERS (2004)
Nature of bonding in the thermal cyclization of (Z)-1,2,4,6-heptatetraene and its heterosubstituted analogues Chamorro, EE; Notario R. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2004)
A complementary view to the bonding pattern in the N-5(+) cation: An electron localization function and local temperature analysis Chamorro, E. Article ISI JOURNAL OF THE CHILEAN CHEMICAL SOCIETY (2003)
A COMPLEMENTARY VIEW TO THE BONDING PATTERN IN THE N5+ CATION: AN ELECTRON LOCALIZATION FUNCTION AND LOCAL TEMPERATURE ANALYSIS Chamorro, E. Article SCIELO SCOPUS JOURNAL OF THE CHILEAN CHEMICAL SOCIETY (2003)
Electron probability distribution in AIM and ELF basins Chamorro, E.; Fuentealba P.; Savin, A. Article ISI SCOPUS JOURNAL OF COMPUTATIONAL CHEMISTRY (2003)
The nature of bonding in pericyclic and pseudopericyclic transition states: Thermal chelotropic decarbonylations Chamorro, E. Article ISI SCOPUS JOURNAL OF CHEMICAL PHYSICS (2003)
Theoretical study of the gas-phase decomposition of neutral alpha-amino acid ethyl ethyl picolinate and ethyl esters. Part 2 - Elimination of ethyl picolinate and ethyl 1-methylpipecolinate Notario R.; Quijano J.; Leon, LA; Sánchez C; Quijano, JC; Alarcón G.; Chamorro, E.; Chuchani, G Article ISI SCOPUS JOURNAL OF PHYSICAL ORGANIC CHEMISTRY (2003)
Theoretical study of the thermolysis reaction of beta-hydroxynitriles in the gas phase Chamorro, E.; Quijano J.; Notario R.; Sánchez C; Leon, LA; Chuchani, G Article ISI SCOPUS INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2003)
Variation of the electrophilicity index along the reaction path Chamorro, E.; Chattaraj, PK; Fuentealba P. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2003)
A density functional study of the Claisen rearrangement of allyl aryl ether, allyl arylamine, allyl aryl thio ether, and a series of meta-substituted molecules through reactivity and selectivity profiles Gómez B.; Chattaraj, PK; Chamorro, E.; Contreras R.; Fuentealba P. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2002)
Local reactivity index defined through the density of states describes the basicity of alkaline-exchanged zeolites Santos, JC; Contreras R.; Chamorro, E.; Fuentealba P. Article ISI SCOPUS JOURNAL OF CHEMICAL PHYSICS (2002)
The bonding nature of some simple sigmatropic transition states from the topological analysis of the electron localization function Chamorro, E.; Santos, JC; Gómez B.; Contreras R.; Fuentealba P. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2002)
The Markovnikov regioselectivity rule in the light of site activation models Aizman A.; Contreras R.; Galván M.; Cedillo, A; Santos, JC; Chamorro, E. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2002)
Theoretical study of intramolecular proton transfer reactions in some thiooxalic acid derivatives Chamorro, E.; Toro-Labbe, A; Fuentealba P. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2002)
Theoretical study of the gas-phase decomposition of neutral alpha-amino acid ethyl esters. Part 1 - The elimination of N,N-dimethylglycine ethyl ester and ethyl 1-piperidineacetate Quijano J.; Notario R.; Chamorro, E.; Leon, LA; Sánchez C; Alarcón G.; Quijano, JC; Chuchani, G Article ISI SCOPUS JOURNAL OF PHYSICAL ORGANIC CHEMISTRY (2002)
Theoretical study of the thermolysis reaction of ethyl beta-hydroxycarboxylates in the gas phase Notario R.; Quijano J.; Quijano, JC; Gutierrez, LP; Suarez, WA; Sánchez C; Leon, LA; Chamorro, E. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2002)
Higher order derivatives for nuclear indexes in the framework of density functional theory Chamorro, E.; Fuentealba P.; Contreras R. Article ISI SCOPUS JOURNAL OF CHEMICAL PHYSICS (2001)
Scrutiny of the HSAB principle in some representative acid-base reactions Chattaraj, PK; Gómez B.; Chamorro, E.; Santos, J.; Fuentealba P. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2001)
Topological analysis of the electron localization function applied to the study of the [1,3] sigmatropic shift of fluorine in 3-fluorpropene Chamorro, E.; Santos, JC; Gómez B.; Contreras R.; Fuentealba P. Article ISI JOURNAL OF CHEMICAL PHYSICS (2001)
Some relationships within the nonlocal (pair-site) chemical reactivity formalism of density functional theory Chamorro, E.; Contreras R.; Fuentealba P. Article ISI SCOPUS JOURNAL OF CHEMICAL PHYSICS (2000)
Chemical bonding and reactivity: a local thermodynamic viewpoint Chattaraj, PK; Chamorro, E; Fuentealba, P Article ISI CHEMICAL PHYSICS LETTERS (1999)
Are There Only Fold Catastrophes in the Diels–Alder Reaction between Ethylene and 1,3–Butadiene? Ayarde-Henríquez, Leandro; Guerra, Cristian; Duque-Noreña, Mario; Rincon, Elizabeth; Pérez, Patricia Article


Characterization and Kinetic Studies of New Heteroaryl Nitrones as Spin Traps Gonzalez G. ; Chamorro, E.; Olea Azar C.; Norambuena E.; Cerecetto, H.; Gonzalez, M.; Porcal, W Abstract ISI FREE RADICAL BIOLOGY AND MEDICINE (2013)


structural and vibrational properties of 5-trifluoromethyluracil derivative combining dft and scrf calculations with the sqm methodology Rudyk R.A.; Ramos M.E.; Checa M.A.; Chamorro E.E.; Brandán S.A. BookWhole SCOPUS Descriptors, Structural and Spectroscopic Properties of Heterocyclic Derivatives of Importance for Health and the Environment (2015)
Structural and vibrational properties of a reverse inhibitor against the hiv virus Dideoxynucleoside zalcitabine in gas and aqueous solution phases Checa M.A.; Rudyk R.A.; Chamorro E.E.; Brandán S.A. BookWhole SCOPUS Descriptors, Structural and Spectroscopic Properties of Heterocyclic Derivatives of Importance for Health and the Environment (2015)


Theoretical structural and vibrational study of 5-trifluoromethyluracil. A comparison with uracil Rudyk R.; Ramos M.E.; Checa M.A.; Chamorro E.E.; Brandán S.A. ConferencePaper SCOPUS AIP Conference Proceedings (2014)


Prediction of cytotoxic activity of some 1,2,3,4-tetrahydroquinoline derivatives based on partial least square analysis [Predicción de la actividad citotóxica de algunos derivados 1,2,3,4-tetrahidroquinolínicos basados en el análisis de mínimos cuadrados parciales] Correa-Royero J.; Rojas-López M.; Chamorro, E.; Merchan-Arenas D.R.; Kouznetsov V.; Betancur-Galvis L. Note SCOPUS Vitae (2014)
Comment on the "Nature of bonding in the thermal cyclization of (Z)-l,2,4,6-heptatetraene and Its heterosubstituted analogues" Matito E.; SolÃ M.; Duran, M; Poater J.; Chamorro E.E. Note SCOPUS JOURNAL OF PHYSICAL CHEMISTRY B (2005)


FINITE-TEMPERATURE WITHIN THE SPIN-POLARIZED DENSITY FUNCTIONAL THEORY FRAMEWORK: FURTHER DEVELOPMENTS AND APPLICATIONS Chamorro, Eduardo; PÉrez, Patricia Del Carmen; RincÓn, Elizabeth Adriana Proyecto (2023)
DEVELOPMENT AND EXPLORATION OF CHEMICAL REACTIVITY AND BONDING WITHIN THE BONDING EVOLUTION THEORY (BET) FRAMEWORK=> TOWARDS NEW INSIGHTS AND UNDERSTANDING OF CHEMICAL REACTION MECHANISMS FONDECYT (1181582) Proyecto 2018-2022 Inv. Responsable
DEVELOPMENT OF AN EMPIRICAL VALENCE BOND MODEL FOR THE COMPUTER-AIDED DESIGN OF PHOTON-ACTIVATED ENZYME CATALYSTS FONDECYT (1181260) Proyecto 2018-2022 Coinvestigador(a)
THE E=E[N, v(R)] DENSITY FUNCTIONAL THEORY REPRESENTATION AS A BASIS FOR THE DEVELOPMENT AND EXPLORATION OF CHEMICAL REACTIVITY MODELS ALONG BOND-BREAKING/BOND-FORMING PROCESSES. FONDECYT (1180348) Proyecto 2018-2022 Coinvestigador(a)
FONDECYT REGULAR 2016. Constructing M/Re (M = Pd, Pt, Cu, Ag, Ru or Ir) Heterobimetalic Complexes from the Versatile Fragment [(dimpz)Re(CO)3Br]=> Choosing its luminescent properties according to the nature and geometry of their second metal FONDECYT (1160546) Proyecto 2016-2020 Coinvestigador(a)
Exploration and application of theoretical reactivity models for the description of electrophilicity and nucleophilicity. UNAB-DI. (793-15/R) Proyecto 2015-2016 Coinvestigador(a)
UNAB-DI. Charge transfer within the spin-polarized density functional theory framework UNAB-DI (806-15/R) Proyecto 2015-2016 Inv. Principal
FONDECYT REGULAR-2014. Understanding Spin-Polarization and Charge-Transfer Processes within the Spin- Polarized Density Functional Theory (SP-DFT) framework. FONDECYT (1140343) Proyecto 2014-2018 Inv. Principal
FONDECYT-REGULAR-2014. New insights from theoretically-defined electrophilicity and nucleophilicity descriptors within the context of density functional theory FONDECYT (1140341) Proyecto 2014-2018 Coinvestigador(a)
ICM-MINECON-CHILE-2014. NUCLEO MILENIO PROCESOS QUIMICOS Y CATÁLISIS (CPC) MINECON-CHILE. INICIATIVA CIENTIFICA MILENIO (120082) Proyecto 2014-2017 Coinvestigador(a)
COLCIENCIAS 2012. HIDROGASIFICACION CATALITICA DE MATERIALES CARBONOSOS COLCIENCIAS-COLOMBIA (COLCIENCIAS) Proyecto 2013-2016 Coinvestigador(a)
FONDECYT REGULAR 2012- 1120865. TUNING THE PHOTO-PHYSICAL PROPERTIES OF MULTINUCLEAR THIRD-ROW (RE AND IR) COMPLEXES BRIDGED WITH HYBRID AMINE-PHOSPHINE LIGANDS FONDECYT (1120865) Proyecto 2012-2015 Coinvestigador(a)
FONDECYT-PIA- 2012. CARACTERIZACIÓN Y OPTIMIZACIÓN DE PROPIEDADES FOTO-FÍSICAS DE SISTEMAS BASADOS EN COMPLEJOS MONO Y MULTINUCLEARES DEL TERCER PERIODO (RE E IR) UNIDOS A LIGANDOS HÍBRIDOS TIPO AMINO-FOSFINA CON APLICACIONES EN MATERIALES NANOCOMPUESTOS. PIA (PIA) Proyecto 2012-2015 Coinvestigador(a)
MECESUP- 2012- ADECUACIÓN Y REDISEÑO DEL PROCESO DE APRENDIZAJE DE CIENCIAS EXACTAS PARA PRIMEROS AÑOS EN UNIVERSIDAD ANDRÉS BELLO. MECESUP-CHILE (FIAC UAB 1202) Proyecto 2012-2015 Investigador(a)
REACTIVIDAD DE ANTIOXIDANTES Y ATRAPADORES DE RADICALES LIBRES EN EL CONTEXTO DE LA TEORIA DE FUNCIONALES DE LA DENSIDAD DE ESPIN POLARIZADO (SP-DFT) - FONDECYT POSTDOCTORADO FONDECYT (3120241) Proyecto 2012-2015 Inv. Patrocinante
UNAB-DI-2012- CENTRO INTERDISCIPLINARIO DE MODELAMIENTO FISICOQUIMICO (CIMFQ) UNAB-DI (UNAB DI-219-12/N) Proyecto 2012-2014 Inv. Principal
UNAB-DI- 2011. ESTUDIO TEÓRICO DE LA NITRACIÓN DEL EUGENOL MEDIANTE DESCRIPTORES DE REACTIVIDDA BASADOS EN LA TEORÍA DE FUNCIONALES DE LA DENSIDAD. UNAB-DI (UNAB-DI-57-11/R) Proyecto 2011-2012 Inv. Principal
FONDECYT REGULAR - 2010 - 1100277 CHEMICAL REACTIVITY WITHIN THE SPIN-POLARIZED DENSITY FUNCTIONAL THEORY=> NEW DEVELOPMENTS AND APPLICATIONS FONDECYT (1100277) Proyecto 2010-2013 Inv. Principal
FONDECYT REGULAR - 2010 - 1100278 TOWARDS THEORETICAL ELECTROPHILICITY AND NUCLEOPHILICITY REFERENCE SCALES WITHIN THE CONTEXT OF DENSITY FUNCTIONAL THEORY FONDECYT (1100278) Proyecto 2010-2013 Coinvestigador(a)
FONDECYT - INCENTIVO A LA COOPERACION INTERNACIONAL - 2009 - 7090015 DEVELOPMENT OF CHEMICAL REACTIVITY MODELS AND EXPLORATION OF THE CHEMICAL BOND WITHIN THE CONTEXT OF THE DENSITY FUNCTIONAL THEORY FONDECYT (7090015) Proyecto 2009-2009 Inv. Responsable
UNAB-DI- 2009. NUEVOS ELEMENTOS DE REACTIVIDAD QUÍMICA EN EL MARCO DE LA TEORÍA DE FUNCIONALES DE ESPÍN POLARIZADO (SP-DFT) UNAB-DI (DI 03-09/R) Proyecto 2009-2010 Inv. Responsable
FONDECYT REGULAR - 2008 - 1080147 CROSS-CONJUGATED N-LINKED HETEROCYCLES=> DESIGN, PREPARATION, EXPERIMENTAL AND THEORETICAL STUDIES OF NOVEL MATERIALS FONDECYT (1080147) Proyecto 2008-2011 Coinvestigador(a)
FONDECYT-INCENTIVO A LA COOPERACION INTERNACIONAL - 2008 - 7080028 DEVELOPMENT OF CHEMICAL REACTIVITY MODELS AND EXPLORATION OF THE CHEMICAL BOND WITHIN THE CONTEXT OF THE DENSITY FUNCTIONAL THEORY FONDECYT (7080028) Proyecto 2008-2008 Inv. Responsable
FONDECYT-REGULAR - 2007 - 1070378 DEVELOPMENT OF CHEMICAL REACTIVITY MODELS AND EXPLORATION OF THE CHEMICAL BOND WITHIN THE CONTEXT OF THE DENSITY FUNCTIONAL THEORY FONDECYT (1070378) Proyecto 2007-2010 Inv. Principal
MECESUP FSM0605. AMPLIACIÓN Y CONSOLIDACIÓN DE ÁREAS EN LA RED NACIONAL DE POSTGRADO EN CIENCIAS FÍSICAS MECESUP-CHILE (FSM0605) Proyecto 2007-2009 Investigador(a)
UNAB-DI-2006. EXPLORACIÓN DE LA NATURALEZA DEL ENLACE QUÍMICO EN EL CONTEXTO DE LA TEORÍA DE FUNCIONALES DE LA DENSIDAD Y EL ANÁLISISTOPOLÓGICO DE LA FUNCIÓN DE LOCALIZACIÓN ELECTRÓNICA UNAB-DI (DI 21-06/R) Proyecto 2006-2008 Inv. Principal
FONDECYT - INCENTIVO A LA COOPERACION INTERNACIONAL - 2005 . DESARROLLO Y APLICACION DE MODELOS DE REACTIVIDAD NUCLEAR Y ELECTRONICA EN EL CONTEXTO DE LA TEORIA DE FUNCIONALES DE LA DENSIDAD. FONDECYT (7050003) Proyecto 2005-2005 Inv. Responsable
FWO-Belgium-2005. FUNDAMENTELE AND TOEGEPASTE ASPECTEN VAN DENSITYFUNCTIONAL THEORY. FWO-BELGIUM (W0.006.02N) Proyecto 2005-2005 Investigador(a)
FONDECYT-INCENTIVO A LA COOPERACION INTERNACIONAL - 2004. DESARROLLO Y APLICACION DE MODELOS DE REACTIVIDAD NUCLEAR Y ELECTRONICA EN EL CONTEXTO DE LA TEORIA DE FUNCIONALES DE LA DENSIDAD. FONDECYT (7040134) Proyecto 2004-2004 Inv. Responsable
MIDEPLAN-MILENIO-2004. NÚCLEO MILENIO DE MECÁNICA CUÁNTICA APLICADA Y QUÍMICA COMPUTACIONAL MIDEPLAN (P02-004-F) Proyecto 2004-2007 Investigador(a)
UNAB-DI 2004. DESARROLLO DE MODELOS DE REACTIVIDAD QUÍMICA Y SU EXPLORACIÓN A LO LARGO DE LA COORDENADA INTRÍNSECA DE REACCIÓN (IRC UNAB-DI (DI 11-02) Proyecto 2004-2006 Inv. Principal
FONDECYT- INCENTIVO A LA COOPERACION INTERNACIONAL - 2003 . DESARROLLO Y APLICACION DE MODELOS DE REACTIVIDAD NUCLEAR Y ELECTRONICA EN EL CONTEXTO DE LA TEORIA DE FUNCIONALES DE LA DENSIDAD. FONDECYT (7030009) Proyecto 2003-2004 Inv. Responsable
FONDECYT-REGULAR - 2003 - 1030148. ESTUDIOS RELATIVISTAS DE PRECURSORES DE NANOMATERIALES INORGÁNICOS FONDECYT (1030148) Proyecto 2003-2006 Coinvestigador(a)
FONDECYT-REGULAR - 2003 - 1030173. DESARROLLO Y APLICACIÓN DE MODELOS DE REACTIVIDAD ELECTRÓNICA Y NUCLEAR EN EL CONTEXTO DE LA TEORÍA DE FUNCIONALES DE LA DENSIDAD FONDECYT (1030173) Proyecto 2003-2006 Inv. Principal
UNAB-DI- 2002. CÁLCULO DE PROPIEDADES DEPENDIENTES DEL ESPÍN EN COMPLEJOS DE TRANSICIÓN UNAB-DI (DI 11-03) Proyecto 2002-2003 Coinvestigador(a)
UNAB-DI- 2002. EXPLORACIÓN DE LA REACTIVIDAD QUÍMICA DE ESTADOS DE TRANSICIÓN PERICÍCLICOS Y PSEUDOPERICÍCLICOS UNAB-DI (DI 11-02) Proyecto 2002-2003 Inv. Principal
MECESUP UCH008. ESTRUCTURAS DE REACTIVIDAD Y TEORÍA DE FUNCIONALES DE LA DENSIDAD (INVESTIGACIÓN POSTDOCTORAL) MECESUP-CHILE (UCH0008) Proyecto 2001-2002 Inv. Principal
FONDECYT-DOCTORADO - 1999 - 2990030. DESARROLLO DE MODELOS DE REACTIVIDAD NO LOCAL EN EL CONTEXTO DE LA TEORIA DE FUNCIONALES DE LA DENSIDAD FONDECYT (2990030) Proyecto 1999-2001 Inv. Principal
UDEA-UNAL- 1996. ESTUDIO SEMIEMPÍRICO DE LA TERMÓLISIS DE b-HIDROXICETONAS. UNIV DE ANTIOQUIA / UNIV. NACIONAL DE COLOMBIA Proyecto 1996-1996 Inv. Principal
COLCIENCIAS- 1995. EFECTOS DEL SOLVENTE EN LA TERMÓLISIS DE b-HIDROXICETONAS. COLCIENCIAS-COLOMBIA Proyecto 1995-1997 Personal técnico y/o de apoyo


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)
Understanding the reactivity of captodative ethylenes in polar cycloaddition reactions. A theoretical study Domingo, LR; Chamorro, E.; Perez, P. Review ISI SCOPUS JOURNAL OF ORGANIC CHEMISTRY (2008)
Universal mathematical identities in density functional theory: Results from three different spin-resolved representations Perez, P.; Chamorro, E.; Ayers, PW Review ISI SCOPUS JOURNAL OF CHEMICAL PHYSICS (2008)
Spin-polarized conceptual density functional theory study of the regioselectivity in ring closures of radicals Pinter B.; De Proft F.; Van Speybroeck, V; Hemelsoet, K; Waroquier, M; Chamorro, E.; Veszpremi, T.; Geerlings P. Review ISI SCOPUS JOURNAL OF ORGANIC CHEMISTRY (2007)
Understanding the chemical reactivity of phenylhalocarbene systems: an analysis based on the spin-polarized density functional theory Guerra, D; Andres, J.; Chamorro, E.; Perez, P. Review ISI SCOPUS THEORETICAL CHEMISTRY ACCOUNTS (2007)

125

EDUARDO CHAMORRO

Director CENTRO DE QUIMICA TEÓRICA & COMPUTACIONAL (CQT&C)

Departamento de Ciencias Químicas

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

Patricia Perez

Full Professor

Ciencias Químicas

UNIVERSIDAD ANDRÉS BELLO

Santiago, Chile

Mario Duque

Académico

Ciencias Químicas

Universidad Andrés Bello

Santiago, Chile

patricio fuentealba

Profesor Titular

Física

U. DE CHILE, FAC. CIENCIAS, DPTO. FISICA

Santiago, Chile

Renato Contreras

professor

Quimica

Universidad de Chile

Santiago, Chile

Carlos Cardenas

Associate professor

Physics

UNIVERSIDAD DE CHILE

Santiago, Chile

Elizabeth Rincón

Académica Grado III

UNIVERSIDAD AUSTRAL DE CHILE

Valdivia, Chile

Alejandro Toro

PROFESOR TITULAR

Química Física

PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

Santiago, Chile

Juan Santos

UNIVERSIDAD ANDRES BELLO

santiago, Chile

Andres Vega

Director

Departamento de Química

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

claudio olea

Full Professor

Inorganica y Analitica

UNIVERSIDAD DE CHILE

Santiago, Chile

William Tiznado

Full professor

Chemical Sciences

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

Marjorie Cepeda

Profesor asistente

Ciencias Químicas

Universidad Andrés Bello

Santiago, Chile

Rene Rojas

Professor

Chemistry

PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

Santiago, Chile

Diego Cortés

Académico No Regular

Programa Institucional de Fomento a la Investigación, Desarrollo e Innovación

Universidad Tecnológica Metropolitana

Santiago, Chile

Bárbara Herrera

Profesor Asociado

PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

Santiago, Chile

GERMAN GUNTHER

PROFESOR Titular

Química Orgánica y Físico Química

UNIVERSIDAD DE CHILE

Santiago, Chile

Pablo Jaque

Profesor Asociado

Química Orgánica y Fisicoquímica

Universidad de Chile

Santiago, Chile

Ricardo Matute

Associate Professor

Centro Integrativo de Biología y Química Aplicada (CIBQA)

Universidad Bernardo O'Higgins

Santiago , Chile

Nancy Pizarro

Full professor

Ciencias Quimicas

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

Rafael Islas

Profesor

Departamento de Ciencias Química

Universidad Andrés Bello

Santiago, Chile

YOLANDA PRADO

Nery Villegas

Profesor Asistente

Universidad de Concepción

Concepción, Chile

Balazs Pinter

Jefe de Laboratorio de Fisicoquímica

Quimica

Universidad Técnica Federico Santa María

Valparaiso, Chile

PATRICIO HERMOSILLA

Investigador CEDENNA

Química de los Materiales

UNIVERSIDAD DE SANTIAGO DE CHILE

SANTIAGO, Chile

Juan Saez

Professor

Instituto de Neurociencias

Universidad de Valparaiso

Valparaíso, Chile

Ana Cárdenas

Professor

UNIVERSIDAD DE VALPARAÍSO

Valparaíso, Chile

EDUARDO ENRIQUE CHAMORRO JIMENEZ

Líneas de Investigación

Educación

Fisicoquímica Teórica, UNIVERSIDAD DE CHILE. Chile, 2001

QUIMICO, UNIVERSIDAD DE ANTIOQUIA. Colombia, 1996

Experiencia Académica

Investigador Postdoctoral Full Time

Postdoctoral Researcher Full Time

Experiencia Profesional

Academico Full Time

Director de Departamento de Ciencias Químicas Full Time

Director General de Investigación Full Time

Académico. Jerarquía Profesor Asistente Full Time

Académico. Jerarquía Profesor Asociado Full Time

Académico. Jerarquía Profesor Titular Full Time

Director Doctorado en Fisicoquímca Molecular Full Time

DIRECTOR CENTRO DE QUIMICA TEÓRICA & COMPUTACIONAL (CQT&C) Full Time

ACADEMICO Full Time

Formación de Capital Humano

Difusión y Transferencia

Article (102)

Abstract (1)

BookWhole (2)

ConferencePaper (1)

Note (2)

Proyecto (40)

DEVELOPMENT AND EXPLORATION OF CHEMICAL REACTIVITY AND BONDING WITHIN THE BONDING EVOLUTION THEORY (BET) FRAMEWORK=> TOWARDS NEW INSIGHTS AND UNDERSTANDING OF CHEMICAL REACTION MECHANISMS

DEVELOPMENT OF AN EMPIRICAL VALENCE BOND MODEL FOR THE COMPUTER-AIDED DESIGN OF PHOTON-ACTIVATED ENZYME CATALYSTS

THE E=E[N, v(R)] DENSITY FUNCTIONAL THEORY REPRESENTATION AS A BASIS FOR THE DEVELOPMENT AND EXPLORATION OF CHEMICAL REACTIVITY MODELS ALONG BOND-BREAKING/BOND-FORMING PROCESSES.

FONDECYT REGULAR 2016. Constructing M/Re (M = Pd, Pt, Cu, Ag, Ru or Ir) Heterobimetalic Complexes from the Versatile Fragment [(dimpz)Re(CO)3Br]=> Choosing its luminescent properties according to the nature and geometry of their second metal

Exploration and application of theoretical reactivity models for the description of electrophilicity and nucleophilicity.

UNAB-DI. Charge transfer within the spin-polarized density functional theory framework

FONDECYT REGULAR-2014. Understanding Spin-Polarization and Charge-Transfer Processes within the Spin- Polarized Density Functional Theory (SP-DFT) framework.

FONDECYT-REGULAR-2014. New insights from theoretically-defined electrophilicity and nucleophilicity descriptors within the context of density functional theory

ICM-MINECON-CHILE-2014. NUCLEO MILENIO PROCESOS QUIMICOS Y CATÁLISIS (CPC)

COLCIENCIAS 2012. HIDROGASIFICACION CATALITICA DE MATERIALES CARBONOSOS

FONDECYT REGULAR 2012- 1120865. TUNING THE PHOTO-PHYSICAL PROPERTIES OF MULTINUCLEAR THIRD-ROW (RE AND IR) COMPLEXES BRIDGED WITH HYBRID AMINE-PHOSPHINE LIGANDS

FONDECYT-PIA- 2012. CARACTERIZACIÓN Y OPTIMIZACIÓN DE PROPIEDADES FOTO-FÍSICAS DE SISTEMAS BASADOS EN COMPLEJOS MONO Y MULTINUCLEARES DEL TERCER PERIODO (RE E IR) UNIDOS A LIGANDOS HÍBRIDOS TIPO AMINO-FOSFINA CON APLICACIONES EN MATERIALES NANOCOMPUESTOS.

MECESUP- 2012- ADECUACIÓN Y REDISEÑO DEL PROCESO DE APRENDIZAJE DE CIENCIAS EXACTAS PARA PRIMEROS AÑOS EN UNIVERSIDAD ANDRÉS BELLO.

REACTIVIDAD DE ANTIOXIDANTES Y ATRAPADORES DE RADICALES LIBRES EN EL CONTEXTO DE LA TEORIA DE FUNCIONALES DE LA DENSIDAD DE ESPIN POLARIZADO (SP-DFT) - FONDECYT POSTDOCTORADO

UNAB-DI-2012- CENTRO INTERDISCIPLINARIO DE MODELAMIENTO FISICOQUIMICO (CIMFQ)