Man

Jorge Ignacio Martínez Araya

Profesor asociado

Universidad Andres Bello

Santiago, Chile

Líneas de Investigación


Reactividad Quimica en base a calculos mecanocuanticos: 1) Sistemas organometalicos, metalo-organicos, moleculas de interes biologico y materiales energeticos 2) Teoria de los funcionales de la densidad conceptual y otros conceptos de reactividad.

Educación

  •  Química Cuántica, PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE. Chile, 2008
  •  Químico, PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE. Chile, 2002
  •  Química, PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE. Chile, 2002
  •  Química Cuántica Computacional, PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE. Chile, 2008

Experiencia Académica

  •   Profesor de Química General y Orgánica 12 horas semanales

    Universidad Pedro de Valdivia

    Santiago, Chile

    Sin Información - Sin Información

  •   Profesor Investigador Full Time

    UNIVERSIDAD AUTONOMA DE CHILE

    Ciencias de la Salud

    Santiago, Chile

    2013 - 2014

  •   Profesor jornada parcial Part Time

    UNIVERSIDAD TECNICA FEDERICO SANTA MARIA

    Santiago, Chile

    2010 - 2010

  •   Profesor Asistente Full Time

    Universidad Andres Bello

    Facultad de Ciencias Exactas

    Santiago, Chile

    2014 - A la fecha

Experiencia Profesional

  •   Asesor cientifico Part Time

    Centro de Mineria UC

    Santiago, Chile

    2008 - 2008

  •   Supervisor cientifico Part Time

    New Tech Copper S.A. Division Minera del Grupo Cardoen

    Santiago, Chile

    2006 - 2006

  •   Investigador Postdoctoral Full Time

    Materials Science Computational Division od the SouthEastern Pacific Research Institute / Universidad Técnica Federico Santa María

    Valparaíso, Chile

    2008 - 2009

Premios y Distinciones

  •   Premio de Excelencia en Ciencias Naturales y Exactas

    PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

    Chile, 2008

    Reconocimiento a la mejor tesis doctoral en ciencias año 2008

  •   Premio Mencion Honrosa de Tesis Doctoral

    ACADEMIA CHILENA DE CIENCIAS

    Chile, 2010

    Por la originalidad del trabajo.

  •   Premio al mejor promedio de notas de programa de postgrado

    PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

    Chile, 2005

    Por el mejor rendimiento académico alcanzado hasta ese momento.

  •   Premio al mejor promedio de notas de pregrado

    PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

    Chile, 2002

    Por el promedio alcanzado al término de los estudios de la carrera de Química


 

Article (33)

Assessment of a set of twelve density functionals to estimate the global reactivity of myricetin through the Koopmans' theorem
Effect of the exchange-correlation functional on the synchronicity/nonsynchronicity in bond formation in Diels-Alder reactions: a reaction force constant analysis
Scrutinizing the substituent effect on Mo-based electrocatalysts for molecular hydrogen release through axial-equatorial decomposition: a DFT study
The importance of diffuse functions in basis sets to produce reliable 3D pictures of dual descriptor
A 3D visualization of the substituent effect A brief analysis of two components of the operational formula of dual descriptor for open-shell systems
A theoretical assessment of antioxidant capacity of flavonoids by means of local hyper-softness
Assessment of ten density functionals through the use of local hyper-softness to get insights about the catalytic activity
Solvent effect on the degree of (a)synchronicity in polar Diels-Alder reactions from the perspective of the reaction force constant analysis
A Generalized Operational Formula Based on Total Electronic Densities to Obtain 3D Pictures of the Dual Descriptor to Reveal Nucleophilic and Electrophilic Sites Accurately on Closed-Shell Molecules
Reaction Electronic Flux as a Fluctuation of Relative Interatomic Electronic Populations
The substituent effect from the perspective of local hyper-softness. An example applied on normeloxicam, meloxicam and 4-meloxicam=> Non-steroidal anti-inflammatory drugs
Towards the rationalization of catalytic activity values by means of local hyper-softness on the catalytic site=> a criticism about the use of net electric charges
Why is the Dual Descriptor a more Accurate Local Reactivity Descriptor than Fukui Functions?
Possible Use of Group 4 Metallocene Methyl Cations as Potential Neutralizers for FOX-7
An Intermediate Level of Approximation for Computing the Dual Descriptor
Computational Nanochemistry Report on the Oxicams - Conceptual DFT Indices and Chemical Reactivity
Computational Nutraceutics=> Chemical Reactivity Properties of the Flavonoid Naringin by Means of Conceptual DFT
Explaining Reaction Mechanisms using the Dual Descriptor=> a Complementary Tool to the Molecular Electrostatic Potential
Explaining Some Anomalies in Catalytic Activity Values in Some Zirconocene Methyl Cations=> Local Hypersoftness
Oxicams=> Computational Thermochemical Parameters and Solubility
Revisiting caffeate’s capabilities as a complexation agent to silver cation in mining processes by means of the dual descriptor - a conceptual DFT approach
The Mechanism of Ethylene Polymerization Reaction Catalyzed by Group IVB Metallocenes. A Rational Analysis Through the Use of Reaction Force
The Dual Descriptor=> Working Equations applied on Electronic Open-Shell Molecular Systems
An electrostatic correction for improved crystal density predictions of energetic ionic compounds
An Electrostatic Correction for Improved Crystal Density Predictions of Energetic Ionic Compounds
The Dual Descriptor to Measure Local Reactivity on Buckminster Fullerenes=> An Analysis Within the Framework of Conceptual DFT
An Electrostatic Interaction Correction for Improved Crystal Density Prediction
Local reactivity descriptors from degenerate frontier molecular orbitals
The reaction force. A scalar property to characterize reaction mechanisms
On the nature of the active site in bis(imino)pyridyl iron, a catalyst for olefin polymerization
QSAR model for ethylene polymerisation catalysed by supported bis(imino)pyridine iron complexes
Theoretical study of adsorption of Sarin and Soman on tetrahedral edge clay mineral fragments
Energy and chemical force profiles from the Marcus equation

BookSection (1)

Limitations in Using the Sanderson's Principle to Estimate Global Reactivity

ConferencePoster (1)

Dual Descriptor based on Total Electron Densities and Adapted to Molecular Symmetry

Proyecto (22)

H2 Activation and Hydrogenation of Unsaturated Compounds by Frustrated Lewis Pairs: Towards a Unified Reactivity Model
Searching for a Synergistic Effect of Substituents in Mo-Based Organometallic Compounds to Activate Dihydrogen: A Quantum Chemical Study
COMPUTATIONAL DESIGN OF MOLYBDENUM-OXO ELECTROCATALYSTS TO PRODUCE MOLECULAR HYDROGEN BASED ON THE CONCEPTUAL DENSITY-FUNCTIONAL THEORY AND THE REACTION FORCE ANALYSIS
REACTION FORCE CONSTABT AS AN INDICATIVE OF THE DEGREE OF SYNCHRONICITY/NONSYNCHRONICITY IN REACTION MECHANISMS=> APPLICATIONS TO ONDE-BOND AND MULTI-BOND CHEMICAL REACTIONS
Reaction Force Constant As An Indicative of the Degree of Synchronicity/Nonsynchronicity in Reaction Mechanisms: Applications to One-bond and Multi-Bond Chemical Reactions.
REACTION FORCE CONSTANT AS AN INDICATIVE OF THE DEGREE OF SYNCHRONICITY/NONSYNCHRONICITY IN REACTION MECHANISMS=> APPLICATIONS TO ONDE-BOND AND MULTI-BOND CHEMICAL REACTIONS
Caracterización Teórica de la Reactividad de los Complejos Proteicos Asociados a las Reacciones Luminosas de la Fotosíntesis y Transferencia de Electrones con Proyección hacia la Generación de Hidrogeno como Fuente de Energía Limpia
Química Verde=> Estudio Sistemático para la Búsqueda de Nuevos Agentes Complejantes Inocuos hacia el Medio-Ambiente y Orientados a la Minería Metálica
CATALYTIC ACTIVITY=> A THEORETICAL APPROACH. CHEMICAL REACTIVITY IN GROUP IVB METALLOCENES AND BIS(IMINO)PYRIDINE IRON COMPLEXES FOR OLEFIN POLIMERIZATION
Análisis de la Relación Estructura-Actividad Mediante Descriptores Mecano-Cuánticos Aplicados a la Catálisis Homogénea para Polimerización de Olefinas
Estudio de la adsorción y potencial descomposición de gases tóxicos Sarín y Soman sobre superficies de minerales arcilla mediante cálculos mecano-cuánticos haciendo uso de la Teoría de Átomos en Moléculas.
Fuerza de Reacción=> Una Nueva Perspectiva para Caracterizar los Mecanismos de Reacciones Químicas
Modelos para Evaluar la Exposición al Cobre y sus Efectos en Seres Humanos
Proyecto Programa B. HPC & Materials, Centro TIC
Center for Advanced Interdisciplinary Research in Materials
Centro para la Investigación Interdisciplinaria Avanzada en Ciencias de los Materiales (CIMAT)
Determinación Teórica de Perfiles de Reacción. Caracterización de Mecanismos y Reactividad Química
Catalytic Activity: A Theoretical Approach. Chemical Reactivity in Group IVB Metallocenes and Bis(imino)pyridine Iron Complexes for Olefin Polymerization
Computational Design of Molybdenum-oxo Electrocatalysts to Produce Molecular Hydrogen based on the Conceptual Density-Functional Theory and the Reaction Force Analysis.
Green Chemistry. Systematic Study for Seeking Novel Complexation Agents, Environmentally Friendly and Oriented toward Metallic Mining
The Reaction Force. A New Sight to Characterize Reaction Mechanisms
Theoretical Characterization of Reactivity on Protein Complexes associated to Light Reactions of Photosynthesis and Electron Transfer. An Approach to obtain Molecular Hydrogen
26
Jorge Martínez

Profesor asociado

de Ciencias Quimicas

Universidad Andres Bello

Santiago, Chile

4
Pablo Jaque

Profesor Asociado

Química Orgánica y Fisicoquímica

Universidad de Chile

Santiago, Chile

4
Alejandro Toro

PROFESOR TITULAR

Química Física

PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

Santiago, Chile

1
Maria Soledad Gutiérrez

Profesor Asociado

Química-Física

PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

Santiago, Chile

1
Patricia Perez

Full Professor

Ciencias Químicas

UNIVERSIDAD ANDRÉS BELLO

Santiago, Chile