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Pablo Cesar Jaque Olmedo

Profesor Asociado

Universidad de Chile

Santiago, Chile

Química Teórica y Computacional. Predicción de Potenciales Redox: DFT Computacional y Conceptual. Caracterización de Mecanismos de Reacción: (A)Sincronicidad. Reactividad Química en la Activación de Moléculas Inertes por Pares Frustrados de Lewis

Química , UNIVERSIDAD DE CHILE. Chile, 2003
Química , UNIVERSIDAD DE CHILE. Chile, 1997

Postdoctorado Full Time

PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

Química

Santiago, Chile

2004 - 2005
Postdoctorado Full Time

UNIVERSITY OF MINNESOTA

Minnesota, Estados Unidos

2005 - 2006
Postdoctorado Full Time

VRIJE UNIVERSITEIT BRUSSEL

Brussels, Chile

2007 - 2008

Profesor Asistente Full Time

Universidad Andrés Bello

Santiago, Chile

2009 - 2013
Profesor Asociado Full Time

Universidad Andrés Bello

Santiago, Chile

2013 - 2016
Profesor Titular Full Time

Universidad Andrés Bello

Santiago, Chile

2017 - 2018

Pregrado:
Kevin Urrutia, Universidad Andrés Bello (2018)
César Barrales, Universidad Andrés Bello (2015)
Joel Valenzuela, Universidad Andrés Bello (2015)
Rodrigo Navarro, Universidad Andrés Bello (2014)
Pedro Rubio, Universidad de Chile (2021)
Agustín Albornoz, Universidad de Chile (2022)

Magister
Omar Jamis, Universidad de Chile (2023)

Doctorado:
Diana Yepes, Universidad Andrés Bello (2014)
Katerine Paredes, Universidad Andrés Bello (2014)
Mario Saavedra, Universidad Andrés Bello (2014)
Andrés Flor, Universidad de Chile (en curso)
Kevin Urrutia, Universidad de Chile (en curso)
Sebastián Richter, Universidad de Chile (en curso)
Agustín Albornoz, Universidad de Chile (en curso)

Postdoctorado:
Oscar Donoso, Universidad Andrés Bello (2012-2015)
César Barrales, Universidad de Chile (2020-2022)
Danilo Carmona, Universidad de Chile (2020-2022)
Javier Oller, Universidad de Chile (2020-2023)


Metal-free catalytic conversion of CO2 into methanol: local electrophilicity as a tunable property in the design and performance of aniline-derived aminoborane-based FLPs Barrales-Martinez, Cesar; Duran, Rocio; Jaque, Pablo Article ISI INORGANIC CHEMISTRY FRONTIERS (2023)
A deeper analysis of the role of synchronicity on the Bell-Evans-Polanyi plot in multibond chemical reactions: a path-dependent reaction force constant Barrales-Martinez, Cesar; Jaque, Pablo Article ISI PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2022)
Unconventional OFF-ON Response of a Mono(calix[4]arene)- Substituted BODIPY Sensor for Hg2+through Dimerization Reversion Lorente, Alejandro; Ochoa, Andres; Rodriguez-Lavado, Julio; Rodriguez-Nuevalos, Silvia; Jaque, Pablo; Gil, Salvador; Saez, Jose A.; Costero, Ana M. Article ISI ACS OMEGA (2022)
1,3-Dipolar Cycloadditions by a Unified Perspective Based on Conceptual and Thermodynamics Models of Chemical Reactivity Barrales-Martinez, Cesar; Martinez-Araya, Jorge, I; Jaque, Pablo Article ISI JOURNAL OF PHYSICAL CHEMISTRY A (2021)
5-HT2 Receptor Subfamily and the Halogen Bond Promise Fierro, Angelica; Matthies, Douglas J.; Cassels, Bruce K.; Jaque, Pablo; Zapata-Torres, Gerald Article ISI JOURNAL OF CHEMICAL INFORMATION AND MODELING (2021)
Chemical and biological analysis of 4-acyloxy-3-nitrocoumarins as trypanocidal agents Salgado, Francisco; Moncada-Basualto, Mauricio; Pozo-Martinez, Josue; Liempi, Ana; Kemmerling, Ulrike; Maya, Juan-Diego; Jaque, Pablo; Borges, Fernanda; Uriarte, Eugenio; Matos, Maria J.; Olea-Azar, Claudio Article ISI ARABIAN JOURNAL OF CHEMISTRY (2021)
Phosphine Evaluation on a New Series of Heteroleptic Copper(I) Photocatalysts with dpa Ligand [Cu(dpa)(P,P)]BF4 Henriquez, Marco A.; Engl, Sebastian; Jaque, Pablo; Gonzalez, Ivan A.; Natali, Mirco; Reiser, Oliver; Cabrera, Alan R. Article ISI EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (2021)
An Unusual Oxidative Dealkylation Strategy towards Functionalized Phenalenones as Singlet Oxygen Photosensitizers and Photophysical Studies De Bonfils, Paul; Verron, Elise; Sandoval-Altamirano, Catalina; Jaque, Pablo; Moreau, Xavier; Günther, Germán; Nun, Pierrick; Coeffard, Vincent Article JOURNAL OF ORGANIC CHEMISTRY (2020)
DFT benchmark study of the O-O bond dissociation energy in peroxides validated with high-level ab initio calculations Carmona, Danilo J.; Jaque, Pablo; Vohringer-Martinez, Esteban Article ISI THEORETICAL CHEMISTRY ACCOUNTS (2020)
Elucidating sensing mechanisms of a pyrene excimer-based calix[4]arene for ratiometric detection of Hg( ii ) and Ag( i ) and chemosensor behaviour as INHIBITION or IMPLICATION logic gates Rodríguez-Lavado, Julio; Lorente, Alejandro; Flores, Erick; Ochoa, Andrés; Godoy, Fernando; Jaque, Pablo; Saitz, Claudio Article RSC ADVANCES (2020)
Elucidating sensing mechanisms of a pyrene excimer-based calix[4]arene for ratiometric detection of Hg(ii) and Ag(i) and chemosensor behaviour as INHIBITION or IMPLICATION logic gates Rodriguez-Lavado, Julio; Lorente, Alejandro; Flores, Erick; Ochoa, Andres; Godoy, Fernando; Jaque, Pablo; Saitz, Claudio Article ISI RSC ADVANCES (2020)
Real-Space Approach to the Reaction Force: Understanding the Origin of Synchronicity/Nonsynchronicity in Multibond Chemical Reactions Yepes D.; Munarriz J.; L'Anson D.; Contreras-Garcia J.; Jaque P. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2020)
Synthesis, in vitro evaluation and molecular docking of a new class of indolylpropyl benzamidopiperazines as dual AChE and SERT ligands for Alzheimer's disease Rodriguez-Lavado, Julio; Gallardo-Garrido, Carlos; Mallea, Michael; Bustos, Victor; Osorio, Rodrigo; Hodar-Salazar, Martin; Chung, Hery; Araya-Maturana, Ramiro; Lorca, Marcos; David Pessoa-Mahana, C.; Mella-Raipan, Jaime; Saitz, Claudio; Jaque, Pablo; Reyes-Parada, Miguel; Iturriaga-Vasquez, Patricio; Pessoa-Mahana, Hernan Article ISI EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2020)
Synthesis, in vitro evaluation and molecular docking of a new class of indolylpropyl benzamidopiperazines as dual AChE and SERT ligands for Alzheimer’s disease Rodríguez-Lavado, Julio; Gallardo-Garrido, Carlos; Mallea, Michael; Bustos, Victor; Osorio, Rodrigo; Hödar-Salazar, Martín; Chung, Hery; Araya-Maturana, Ramiro; Lorca, Marcos; Pessoa-Mahana, C. David; Mella-Raipán, Jaime; Saitz, Claudio; Jaque, Pablo; Reyes-Parada, Miguel; Iturriaga-Vásquez, Patricio; Pessoa-Mahana, Hernán Article EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2020)
Unusual Oxidative Dealkylation Strategy toward Functionalized Phenalenones as Singlet Oxygen Photosensitizers and Photophysical Studies De Bonfils, Paul; Verron, Elise; Sandoval-Altamirano, Catalina; Jaque, Pablo; Moreau, Xavier; Gunther, German; Nun, Pierrick; Coeffard, Vincent Article ISI JOURNAL OF ORGANIC CHEMISTRY (2020)
Effect of the exchange-correlation functional on the synchronicity/nonsynchronicity in bond formation in Diels-Alder reactions: a reaction force constant analysis Yepes, Diana; Valenzuela, Joel; Martinez-Araya, Jorge I.; Perez, Patricia; Jaque, Pablo Article ISI SCOPUS PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2019)
Further understanding of the Ru-centered [2+2] cycloreversion/cycloaddition involved into the interconversion of ruthenacyclobutane using the Grubbs catalysts from a reaction force analysis Paredes-Gil K.; MendizÃ¡bal F.; Jaque P. Article ISI SCOPUS JOURNAL OF MOLECULAR MODELING (2019)
Reaction mechanism of hydrogen activation by frustrated Lewis pairs Liu L.; Lukose B.; Jaque P.; Ensing B. Article ISI SCOPUS GREEN ENERGY & ENVIRONMENT (2019)
Scrutinizing the substituent effect on Mo-based electrocatalysts for molecular hydrogen release through axial-equatorial decomposition: a DFT study Yepes D.; Jaque P.; MartÃnez-Araya J.I. Article ISI SCOPUS PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2019)
Unexpected intramolecular N-arylcyano-beta-diketiminate cyclization in new aminoquinoline derivative complexes of aluminium for CO2 fixation into cyclic carbonates Moreno Da Costa D.; Borja L.; Verdugo C.; Martinez J.; Quintero C.; Jaque P.; Trofymchuk, O. S; Daniliuc C.G.; Cabrera A.R.; Rojas R.S. Article ISI SCOPUS NEW JOURNAL OF CHEMISTRY (2019)
A 3D visualization of the substituent effect A brief analysis of two components of the operational formula of dual descriptor for open-shell systems Martinez-Araya, JI; Yepes, D; Jaque, P Article ISI SCOPUS JOURNAL OF MOLECULAR MODELING (2018)
A systematic electronic structure study of the O-O bond dissociation energy of hydrogen peroxide and the electron affinity of the hydroxyl radical Carmona, DJ; Contreras, DR; Douglas-Gallardo, OA; Vogt-Geisse, S; Jaque, P; Vohringer-Martinez, E Article ISI SCOPUS THEORETICAL CHEMISTRY ACCOUNTS (2018)
Hydrogenation of Multiple Bonds by Geminal Aminoborane-Based Frustrated Lewis Pairs Yepes, D; Jaque, P; Fernandez I. Article ISI SCOPUS CHEMISTRY-A EUROPEAN JOURNAL (2018)
Solvent effect on the degree of (a)synchronicity in polar Diels-Alder reactions from the perspective of the reaction force constant analysis Yepes, D; Martinez-Araya, JI; Jaque, P Article ISI SCOPUS JOURNAL OF MOLECULAR MODELING (2018)
Unveiling interactions between DNA and cytotoxic 2-arylpiperidinyl-1,4-naphthoquinone derivatives: A combined electrochemical and computational study Espinosa-Bustos C.; Canales C.; RamÃrez G.; Jaque P.; Salas, C. O. Article SCOPUS Arabian Journal of Chemistry (2018)
Effect of Lewis acid bulkiness on the stereoselectivity of Diels-Alder reactions between acyclic dienes and alpha,beta-enals Yepes, Diana; Pérez, Patricia; Jaque, Pablo; Fernández, Israel Article ISI SCOPUS ORGANIC CHEMISTRY FRONTIERS (2017)
New imidoyl-indazole platinum (II) complexes as potential anticancer agents: Synthesis, evaluation of cytotoxicity, cell death and experimental-theoretical DNA interaction studies Cabrera, Alan R.; Espinosa-Bustos, Christian; Faúndez, Mario; Meléndez, Jaime; Jaque, Pablo; Daniliuc, Constantin G.; Aguirre, Adam; Rojas, René S.; Salas, Cristian O. Article ISI SCOPUS JOURNAL OF INORGANIC BIOCHEMISTRY (2017)
Deeper Insight into the Factors Controlling H-2 Activation by Geminal Aminoborane-Based Frustrated Lewis Pairs Yepes, D; Jaque, P; Fernandez, I Article ISI SCOPUS CHEMISTRY-A EUROPEAN JOURNAL (2016)
Theoretical characterization of first and second generation Grubbs catalysts in styrene cross-metathesis reactions: insights from conceptual DFT Paredes-Gil, K; Jaque, P Article ISI SCOPUS CATALYSIS SCIENCE TECHNOLOGY (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)
Clean Singlet Oxygen Production by a Re-I Complex Embedded in a Flexible Self-Standing Polymeric Silsesquioxane Film Spada, RM; Cepeda-Plaza, M; Gomez, ML; Gunther, G.; Jaque, P; Pizarro N.; Palacios, RE; Vega A. Article ISI JOURNAL OF PHYSICAL CHEMISTRY C (2015)
Initiation stage of alkene metathesis: Insights from natural bond orbital and charge decomposition analyses Paredes-Gil, K; Jaque, P Article ISI SCOPUS CHEMICAL PHYSICS LETTERS (2015)
Insights into some Diels-Alder cycloadditions via the electrostatic potential and the reaction force constant Murray J.S.; Yepes D.; Jaque, P; Politzer, P Article ISI SCOPUS Computational and Theoretical Chemistry (2015)
Theoretical study of dibenzyl disulfide adsorption on Cu-7 cluster as a first approximation to sulfur-induced copper corrosion process Saavedra-Torres, Mario; Jaque, Pablo; Tielens, Frederik; Santos, Juan C Article ISI SCOPUS Theoretical Chemistry Accounts (2015)
Complementarity of reaction force and electron localization function analyses of asynchronicity in bond formation in Diels-Alder reactions Yepes D.; Murray, JS; Perez, P.; Domingo, LR; Politzer, P; Jaque, P Article ISI SCOPUS PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)
DFT Study on the Relative Stabilities of Substituted Ruthenacyclobutane Intermediates Involved in Olefin Cross-Metathesis Reactions and Their Interconversion Pathways Paredes-Gil, K; Solans-Monfort, X; Rodriguez-Santiago, L; Sodupe, M; Jaque, P Article ISI SCOPUS ORGANOMETALLICS (2014)
Driving and retarding forces in a chemical reaction Politzer, P; Murray, JS; Yepes D.; Jaque, P Article ISI SCOPUS JOURNAL OF MOLECULAR MODELING (2014)
Photoemission Spectra and Density Functional Theory Calculations of 3d Transition Metal-Aqua Complexes (Ti-Cu) in Aqueous Solution Yepes D.; Seidel R.; Winter, B; Blumberger, J; Jaque, P Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY B (2014)
Polarizability of neutral copper clusters Jaque, P; Toro-Labbe, A Article ISI SCOPUS JOURNAL OF MOLECULAR MODELING (2014)
Stability analysis of lithio-silicon Si10Li8 clusters: Planar bicyclic ring vs. three-dimensional structures Donoso-Tauda, O; Yepes D.; Jaque, P; Santos, JC Article ISI SCOPUS CHEMICAL PHYSICS LETTERS (2014)
Traditional and Ion-Pair Halogen-Bonded Complexes Between Chlorine and Bromine Derivatives and a Nitrogen-Heterocyclic Carbene Donoso-Tauda, O; Jaque, P; ELGUERO, J; Alkorta, I Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2014)
Fine structure in the transition region: reaction force analyses of water-assisted proton transfers Yepes D.; Murray, JS; Santos, JC; Toro-Labbe, A; Politzer, P; Jaque, P Article ISI SCOPUS Journal of Molecular Modeling (2013)
Perspectives on the reaction force constant Politzer, P; Murray, JS; Jaque, P Article ISI SCOPUS Journal of Molecular Modeling (2013)
The reaction force constant as an indicator of synchronicity/nonsynchronicity in [4+2] cycloaddition processes Yepes D.; Donoso-Tauda, O; Perez, P.; Murray, JS; Politzer, P; Jaque, P Article ISI SCOPUS PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2013)
Electronic activity in chelotropic and cycloaddition reactions Correa J.V.; Jaque, P; Geerlings P.; Toro-Labbe, A Article ISI SCOPUS International Journal of Quantum Chemistry (2012)
The reaction force constant: an indicator of the synchronicity in double proton transfer reactions Yepes D.; Murray J.S.; Politzer, P; Jaque, P Article ISI SCOPUS PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)
Oxidation Potential of Thiophene Oligomers: Theoretical and Experimental Approach Camarada, MB; Jaque, P; Diaz, FR; del Valle, MA Article ISI SCOPUS Journal of Polymer Science, Part B: Polymer Physics (2011)
Structural effects of amphiphilic block copolymers on the gold nanoplates synthesis. Experimental and theoretical study Saldías C.; Leiva A.; Quezada C.; Jaque, P; Gargallo, L.; Radic D. Article ISI SCOPUS EUROPEAN POLYMER JOURNAL (2011)
Theoretical analysis based on X-H bonding strength and electronic properties in red- and blue-shifting hydrogen-bonded X-H center dot center dot center dot pi complexes Donoso-Tauda, O; Jaque, P; Santos, JC Article ISI SCOPUS Physical Chemistry Chemical Physics (2011)
Regaining the Woodward-Hoffmann rules for chelotropic reactions via conceptual DFT Jaque, P; Correa, JV; De Proft F.; Toro-Labbe, A; Geerlings P. Article ISI SCOPUS CANADIAN JOURNAL OF CHEMISTRY (2010)
Regioselectivity of Radical Additions to Substituted Alkenes: Insight from Conceptual Density Functional Theory De Vleeschouwer, F; Jaque, P; Geerlings P.; Toro-Labbe, A; De Proft F. Article ISI SCOPUS Journal of Organic Chemistry (2010)
A New View on the Spectrochemical and Nephelauxetic Series on the Basis of Spin-Polarized Conceptual DFT Moens, Jan; Jaque, Pablo; de Proft, Frank; Geerlings, Paul Article ChemPhysChem (2009)
Analyzing Kullback-Leibler information profiles: an indication of their chemical relevance Borgoo, A; Jaque, P; Toro-Labbe, A; Van Alsenoy, C; Geerlings P. Article ISI SCOPUS PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2009)
Nucleophilicity and electrophilicity of silylenes from a molecular electrostatic potential and dual descriptor perspectives Correa, JV; Jaque, P; Olah, J; Toro-Labbe, A; Geerlings P. Article ISI SCOPUS CHEMICAL PHYSICS LETTERS (2009)
Theoretical Study of the Regioselectivity of [2+2] Photocycloaddition Reactions of Acrolein with Olefins Jaque, P; Toro-Labbe, A; Geerlings P.; De Proft F. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2009)
Reaction force constant and projected force constants of vibrational modes along the path of an intramolecular proton transfer reaction Jaque, P; Toro-Labbe, A; Politzer, P; Geerlings P. Article ISI SCOPUS CHEMICAL PHYSICS LETTERS (2008)
The study of redox reactions on the basis of conceptual DFT principles: EEM and vertical quantities Moens, J; Jaque, P; De Proft F.; Geerlings P. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2008)
Can electrophilicity act as a measure of the redox potential of first-row transition metal ions? Moens, J; Roos, G; Jaque, P; Proft, F; Geerlings P. Article ISI SCOPUS CHEMISTRY-A EUROPEAN JOURNAL (2007)
Computational electrochemistry: The aqueous Ru3+vertical bar Ru2+ reduction potential Jaque, Pablo; Marenich, Aleksandr V.; Cramer, Christopher J.; Truhlar, Donald G. Article ISI JOURNAL OF PHYSICAL CHEMISTRY C (2007)
Molecular structure and bonding of copper cluster monocarbonyls CunCO (n=1-9) Poater A.; Duran, M; Jaque, P; Toro-Labbe, A; Sola, M Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY B (2006)
Reaction force analysis of the effect of Mg(II) on the 1,3 intramolecular hydrogen transfer in thymine Rincon, E; Jaque, P; Toro-Labbe, A Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2006)
Connection between the average local ionization energy and the Fukui function Toro-Labbe, A; Jaque, P; Murray, JS; Politzer, P Article ISI SCOPUS CHEMICAL PHYSICS LETTERS (2005)
The reaction force: Three key points along an intrinsic reaction coordinate Politzer, P; Toro-Labbe, A; Gutierrez-Oliva, S; Herrera, B.; Jaque, P; Concha, MC; Murray, JS Article ISI SCOPUS Journal of Chemical Sciences (2005)
The formation of neutral copper clusters from experimental binding energies and reactivity descriptors Jaque, P; Toro-Labbe, A Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY B (2004)
Towards understanding the molecular internal rotations and vibrations and chemical reactions through the profiles of reactivity and selectivity indices: an ab initio SCF and DFT study Chattaraj, PK; Gutierrez-Oliva, S; Jaque, P; Toro-Labbe, A Article ISI SCOPUS MOLECULAR PHYSICS (2003)
Characterization of copper clusters through the use of density functional theory reactivity descriptors Jaque, P; Toro-Labbe, A Article ISI SCOPUS JOURNAL OF CHEMICAL PHYSICS (2002)
Flow injection method for preconcentration and polarographic determination of copper in water Richter, P; Toral, MI; Jaque, P Article ISI SCOPUS ELECTROANALYSIS (2000)
Theoretical study of the double proton transfer in the CHX-XH center dot center dot center dot CHX-XH (X = O, S) complexes Jaque, P; Toro-Labbe, A Article ISI JOURNAL OF PHYSICAL CHEMISTRY A (2000)
Using Sanderson's principle to estimate global electronic properties and bond energies of hydrogen-bonded complexes Gutierrez-Oliva, S; Jaque, P; Toro-Labbe, A Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2000)
Simultaneous determination of chlordiazepoxide and clidinium bromide in pharmaceutical formulations by derivative spectrophotometry Toral, MI; Richter, P; Lara, N; Jaque, P; Soto, C; Saavedra, M Article ISI INTERNATIONAL JOURNAL OF PHARMACEUTICS (1999)
Validity of the minimum polarizability principle in molecular vibrations and internal rotations: An ab initio SCF study Chattaraj, PK; Fuentealba, P; Jaque, P; Toro-Labbe, A. Article ISI JOURNAL OF PHYSICAL CHEMISTRY A (1999)
Determinacion simultanea de azomicina y ornidazol por espectrofotometria derivada de primer orden Toral Ponce, María; Soto, Cesar; Jaque, Pablo; Tapia, A. Eugenia; Richter Duk, Pablo Article BOLETIN DE LA SOCIEDAD CHILENA DE QUIMICA (1998)
Sistma de flujo continuo no segmentado con detección polarográfica para la determinación de ranitidina en formas farmacéuticas y orina Jaque, Pablo; Toral Ponce, María; Richter Duk, Pablo Article Boletín de la Sociedad Chilena de Química (1998)
Flow‐through polarographic cell for flow‐injection analysis. Determination of nifedipine in pharmaceutical formulations Richter Duk, Pablo; Toral Ponce, María; Quiroz, Gabriela; Jaque, Pablo Article Laboratory Robotics and Automation (1997)


Asynchronicity As a Reactivity Enhancement Factor and Its Role on the Generalization of Reactivity-Selectivity Principles Jaque, Pablo; Barrales-Martínez, Cesar; Martínez-Araya, Jorge Proyecto (2023)
H2 ACTIVATION AND HYDROGENATION OF UNSATURATED COMPOUNDS BY FRUSTRATED LEWIS PAIRS: TOWARDS A UNIFIED REACTIVITY MODEL Jaque, Pablo; Yepes, Diana; Martínez-Araya, Jorge I. Proyecto (2018)
SEARCHING FOR A SYNERGISTIC EFFECT OF SUBSTITUENTS IN MO-BASED ORGANOMETALLIC COMPOUNDS TO ACTIVATE DIHYDROGEN: A QUANTUM CHEMICAL STUDY Martínez-Araya, Jorge I.; Yepes, Diana; Jaque, Pablo Proyecto (2018)
Chemical Processes and Catalysis – CPC Iniciativa Científica Milenio (NC120082) Proyecto 2014-2016 Investigador(a)
COMPUTATIONAL DESIGN OF MOLYBDENUM-OXO ELECTROCATALYSTS TO PRODUCE MOLECULAR HYDROGEN BASED ON THE CONCEPTUAL DENSITY-FUNCTIONAL THEORY AND THE REACTION FORCE ANALYSIS Martínez-Araya, Jorge I.; Jaque, Pablo Proyecto (2014)
COMPUTATIONAL DESIGN OF MOLYBDENUM-OXO ELECTROCATALYSTS TO PRODUCE MOLECULAR HYDROGEN BASED ON THE CONCEPTUAL DENSITY-FUNCTIONAL THEORY AND THE REACTION FORCE ANALYSIS FONDECYT (1140289) Proyecto 2014-2018 Coinvestigador(a)
REACTION FORCE CONSTABT AS AN INDICATIVE OF THE DEGREE OF SYNCHRONICITY/NONSYNCHRONICITY IN REACTION MECHANISMS=> APPLICATIONS TO ONDE-BOND AND MULTI-BOND CHEMICAL REACTIONS FONDECYT (1140340) Proyecto 2014-2018 Inv. Responsable
REACTION FORCE CONSTANT AS AN INDICATIVE OF THE DEGREE OF SYNCHRONICITY/NONSYNCHRONICITY IN REACTION MECHANISMS: APPLICATIONS TO ONDE-BOND AND MULTI-BOND CHEMICAL REACTIONS Jaque, Pablo; Martínez-Araya, Jorge I. Proyecto (2014)
ESTUDIO TEORICO DE INTERACCIONES DEBILES DEL TIPO ENLACE DE HIDROGENO Y PUENTE DE HALOGENO EN SISTEMAS NO-CONVENCIONALES, X-H(HAL) ---PI Donoso, Oscar; Jaque, Pablo Proyecto (2012)
STUDY OF COPPER CORROSION BY DIBENZYL DISULFIDE AND ITS INHIBITION PROCESS IN DIELECTRIC MEDIUM FONDECYT (1120785) Proyecto 2012-2016 Coinvestigador(a)
STUDY OF COPPER CORROSION BY DIBENZYL DISULFIDE AND ITS INHIBITION PROCESS IN DIELECTRIC MEDIUM Santos, Juan C; Jaque, Pablo; Escobar, Carlos Proyecto (2012)
ESTUDIO TEORICO DE INTERACCIONES DEBILES DEL TIPO ENLACE DE HIDROGENO Y PUENTE DE HALOGENO EN SISTEMAS NO-CONVENCIONALES, X-H(HAL) ---PI FONDECYT (3120205) Proyecto 2011-2014 Inv. Patrocinante
ELECTROCHEMISTRY: COMPUTATIONAL AND CONCEPTUAL DFT Jaque, Pablo Proyecto (2010)
ELECTROCHEMISTRY=> COMPUTATIONAL AND CONCEPTUAL DFT FONDECYT (1100291) Proyecto 2010-2014 Inv. Responsable
SYSTEMATIC STUDY OF CHEMICAL AND ELECTROCHEMICAL POLYMERIZATION OF MODIFIED POLYANILINES, SUBSTITUTED POLYTHIOPHENES, AND THEIR ANILINE CO-POLYMERS TO BE UTILIZED IN THE DEVELOPMENT OF PHOTOCELLS (NEW ENERGY Díaz, Fernando; Del Valle, María; Godoy, Alicia; Jaque, Pablo Proyecto (2009)
FUERZA DE REACCION: UNA NUEVA PERSPECTIVA PARA CARACTERIZAR MECANISMOS DE REACCIONES QUIMICAS Toro-Labbé, Alejandro; Jaque, Pablo; Letelier, Ricardo Proyecto (2006)
FUERZA DE REACCION=> UNA NUEVA PERSPECTIVA PARA CARACTERIZAR MECANISMOS DE REACCIONES QUIMICAS FONDECYT (1060590) Proyecto 2006-2009 Coinvestigador(a)
CARACTERIZACION TEORICA DE LAS PROPIEDADES CATALITICA DE LA SUPERFICIE DE Cu (111) FRENTE A CO Y H2 Jaque, Pablo; Toro-Labbé, Alejandro Proyecto (2000)
CARACTERIZACION TEORICA DE LAS PROPIEDADES CATALITICA DE LA SUPERFICIE DE Cu (111) FRENTE A CO Y H2 FONDECYT (2000050) Proyecto 2000-2003 Inv. Responsable

Pablo Jaque

Profesor Asociado

Química Orgánica y Fisicoquímica

Universidad de Chile

Santiago, Chile

Alejandro Toro

PROFESOR TITULAR

Química Física

PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

Santiago, Chile

DIANA ISABEL YEPES TEJADA

Patricia Perez

Full Professor

Ciencias Químicas

UNIVERSIDAD ANDRÉS BELLO

Santiago, Chile

Maria Soledad Gutiérrez

Profesor Asociado

Química-Física

PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

Santiago, Chile

Jorge Martínez

Profesor asociado

de Ciencias Quimicas

Universidad Andres Bello

Santiago, Chile

César Barrales

Postdoctoral researcher

Universidad de Chile

Santiago, Chile

Angel Leiva

Full Professor

Physical Chemistry

PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

Santiago, Chile

Alan Cabrera

Profesor Asistente

Departamento de Química Inorganica

Pontificia Universidad Católica de Chile

Santiago, Chile

Rene Rojas

Professor

Chemistry

PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

Santiago, Chile

Esteban Vohringer-Martinez

Profesor Asociado

Físico-Química

FACULTAD DE CIENCIAS QUÍMICAS

Concepción, Chile

Juan Santos

UNIVERSIDAD ANDRES BELLO

santiago, Chile

GERMAN GUNTHER

PROFESOR Titular

Química Orgánica y Físico Química

UNIVERSIDAD DE CHILE

Santiago, Chile

David Contreras

Full professor

Analitycal and Inorganic Chemistry

UNIVERSIDAD DE CONCEPCION

Concepción, Chile

David Moreno

Académico - Investigador

Centro de Biología y Química Aplicada

Universidad Bernardo O'Higgins

Santiago, Chile

Stefan Vogt

Profesor Asistente

Fisicoquímica

Universidad de Concepción

Concepcion, Chile

Carlos Gallardo

Director Médico

Laboratorio Ximena Polanco

Santiago, Chile

Galo Ramírez

Profesor Asociado

Química Inorgánica

Pontificia Universidad Catolica de Chile

Santiago, Chile

Oscar Douglas

Post-doctorando

CONICET

Córdoba Capital, Argentina

Javier Martínez

Profesor Auxiliar Categoría 3

Instituto de Ciencias Químicas

Universidad Austral de Chile

Valdivia, Chile

Cristian Salas

Associate professor

Organic Chemistry

PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

Santiago, Chile

fernando godoy

Full Professor

Quimica de los Materiales

UNIVERSIDAD DE SANTIAGO DE CHILE

Santiago, Chile

Ulrike Kemmerling

Full Professor

ICBM

Facultad de Medicina, Universidad de Chile

Santiago, Chile

Carlos Pessoa

Profesor Titular

Departamento de Farmacia

PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

Santiago, Chile

JAIME MELLA

PROFESOR ADJUNTO

INSTITUTO DE QUIMICA Y BIOQUIMICA

UNIVERSIDAD DE VALPARAISO

VALPARAISO, Chile

Andres Vega

Director

Departamento de Química

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

Celso Quintero

Investigador

Proyectos con la Industria

Pontificia Universidad Católica de Chile

Santiago, Chile

EDUARDO CHAMORRO

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

Departamento de Ciencias Químicas

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

Mario Saavedra

Asistente de Investigacion

Ciencias del Ambiente

Universidad de Santiago de Chile

Santiago, Chile

Bruce Cassels

Profesor Titular

Departamento de Química

UNIVERSIDAD DE CHILE, FACULTAD DE CIENCIAS, DEPARTAMENTO DE QUÍMICA

Santiago, Chile

Gerald Zapata

Profesor Asociado

Química Inorgánica y Analítica

Universidad de Chile

Santiago, Chile

Deodato Radic

Full professor

Quimica Fisica

Pontificia Universidad Católica de Chile

Santiago, Chile

MARIA DEL VALLE

Full professor

Quimica Inorganica

PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

Santiago, Chile

Rocío Durán

Investigadora Asistente

Universidad de Talca

Talca, Chile

Mauricio Moncada

Cesar Saldias

Profesor Asistente

de Química Física

Pontificia Universidad Catolica de Chile

Santiago, Chile

Bárbara Herrera

Profesor Asociado

PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

Santiago, Chile

Pablo Richter

FACULTAD DE CIENCIAS QUÍMICAS Y FARMACÉUTICAS, UNIVERSIDAD DE CHILE

Santiago, Chile

Oleksandra Trofymchuk

assistant professor

Universidad de Chile

Santaigo, Chile

Pablo Cesar Jaque Olmedo

Líneas de Investigación

Educación

Química , UNIVERSIDAD DE CHILE. Chile, 2003

Química , UNIVERSIDAD DE CHILE. Chile, 1997

Experiencia Académica

Postdoctorado Full Time

Postdoctorado Full Time

Postdoctorado Full Time

Experiencia Profesional

Profesor Asistente Full Time

Profesor Asociado Full Time

Profesor Titular Full Time

Formación de Capital Humano

Article (74)

Proyecto (19)

Chemical Processes and Catalysis – CPC

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

STUDY OF COPPER CORROSION BY DIBENZYL DISULFIDE AND ITS INHIBITION PROCESS IN DIELECTRIC MEDIUM

ESTUDIO TEORICO DE INTERACCIONES DEBILES DEL TIPO ENLACE DE HIDROGENO Y PUENTE DE HALOGENO EN SISTEMAS NO-CONVENCIONALES, X-H(HAL) ---PI

ELECTROCHEMISTRY=> COMPUTATIONAL AND CONCEPTUAL DFT

FUERZA DE REACCION=> UNA NUEVA PERSPECTIVA PARA CARACTERIZAR MECANISMOS DE REACCIONES QUIMICAS

CARACTERIZACION TEORICA DE LAS PROPIEDADES CATALITICA DE LA SUPERFICIE DE Cu (111) FRENTE A CO Y H2