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César Camilo Barrales Martínez

Académico

Universidad del Bío-Bío

Concepción, Chile

Química Teórica-Computacional; Diseño de catalizadores libre de metales para la activación de H2 e hidrogenación de CO2; Análisis de reactividad química y mecanismos de reacción mediante herramientas conceptuales

Chemistry, UNIVERSIDAD ANDRES BELLO. Chile, 2015
PhD in Chemistry, PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE. Chile, 2019

Academic Researcher Full Time

UNIVERSIDAD DE TALCA

Ingeniería

Talca, Chile

2023 - 2025
Investigador Postdoctoral Full Time

UNIVERSIDAD DE CHILE

Facultad de Ciencias Químicas y Farmacéuticas

Chile

2020 - 2023
Académico Full Time

UNIVERSIDAD DEL BIO-BIO

Ciencias

Concepción, Chile

2026 - A la fecha

Premio Alumni (Facultad de Ciencias Exactas)

UNIVERSIDAD ANDRES BELLO

Chile, 2022

Reconocimiento a la contribución significativa de exalumnos UNAB en sus distintos ámbitos de desempeño profesional.
Premio a la mejor presentación formato póster en el 44th International Congress of Theoretical Chemists of Latin Expression (QUITEL).

PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

Chile, 2018

Premio al mejor póster en el congreso internacional QUITEL-2018
Beca Doctorado Nacional ANID

PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

Chile, 2016

Beca de doctorado nacional
Proyecto Fondecyt Postdoctorado

UNIVERSIDAD DE CHILE

Chile, 2020

Proyecto Fondecyt Postdoctorado Nº 3200949 titulado "Formación De CH3OH A Partir De Hidrogenación De CO2 Mediada Por Pares Frustrados De Lewis: Caracterización Teórica-Computacional Orientada Al Diseño Del Catalizador Ideal" (2020-2023)
Proyecto Fondecyt Iniciación

UNIVERSIDAD DE TALCA

Chile, 2024

Proyecto Fondecyt Iniciación Nº 11240351 titulado "Towards Rational Design Of Metal-Free Catalysts For CO2 Hydrogenation And Methanol/Methanediol Dehydrogenation From Reversible H2 Activation: The Starting Point To Implement A Green Hydrogen Economy" (2024-presente)


Computational Study of the 1,3-Dipolar Cycloaddition between Criegee Intermediates and Linalool: Atmospheric Implications Duran, Rocio; Barrales-Martinez, Cesar; Solorza, Jocelyn; Alzate-Morales, Jans Article ISI SCOPUS Journal of Physical Chemistry A (2025)
Unraveling Lewis base substitution in ansa-type frustrated Lewis pairs: how N → P replacement redefines adduct stability and H2 activation Barrales-Martinez, Cesar; Rosales-Rojas, Javier; Caballero, Julio; Duran, Rocio Article ISI RSC Advances (2025)
Exploring the electronic and steric effects on the dimerization of intramolecular frustrated Lewis pairs: a comparison between aminoboranes and aminoalanes Illanes-Solis, Claudio; Caballero, Julio Article ISI SCOPUS Dalton Transactions (2024)
Reaction force constant as a descriptor of the principle of non-perfect synchronization Barrales-Martinez, Cesar; Carmona, Danilo J.; Oller, Javier; Flor-Lopez, Andres F.; Urrutia-Fernández, Kevin; Richter, Sebastián; Albornoz, Agustín; Martínez-Araya, Jorge; Jaque, Pablo Article ISI SCOPUS Journal of Molecular Modeling (2024)
Shannon entropy variation as a global indicator of electron density contraction at interatomic regions in chemical reactions Caballero, Julio Article ISI SCOPUS Journal of Molecular Modeling (2024)
Substitution Effects in Aryl Halides and Amides into the Reaction Mechanism of Ullmann-Type Coupling Reactions Duran, Rocio; Barrales-Martinez, Cesar; Santana-Romo, Fabian; Rodriguez, Diego F.; Zacconi, Flavia C.; Herrera, Bárbara Article ISI SCOPUS Molecules (2024)
Transition from synchronous to asynchronous mechanisms in 1,3-dipolar cycloadditions: a polarizability perspective Jaque, Pablo Article ISI SCOPUS Journal of Molecular Modeling (2024)
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 Jaque, Pablo Article ISI SCOPUS Inorganic Chemistry Frontiers (2023)
New insights into H2 activation by intramolecular frustrated Lewis pairs based on aminoboranes: the local electrophilicity index of boron as a suitable indicator to tune the reversibility of the process Barrales-MartÃnez; C.; DurÃ¡n; R.; Jaque; P. Article ISI SCOPUS Chemical Science (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 Jaque, Pablo Article ISI SCOPUS Physical Chemistry Chemical Physics (2022)
Hidden intermediate activation: a concept to elucidate the reaction mechanism of the Schmittel cyclization of enyne-allenes Matute, Ricardo A. A. Article ISI SCOPUS Physical Chemistry Chemical Physics (2022)
1,3-Dipolar Cycloadditions by a Unified Perspective Based on Conceptual and Thermodynamics Models of Chemical Reactivity Barrales-Martinez, Cesar; Jaque, Pablo Article ISI SCOPUS Journal of Physical Chemistry A (2021)
Interacting Quantum Atoms Analysis of the Reaction Force: A Tool to Analyze Driving and Retarding Forces in Chemical Reactions Martin Pendas, Angel Article ISI SCOPUS ChemPhysChem (2021)
The effect of heteroatoms in carbonaceous surfaces: computational analysis of H chemisorption on to a PANH and Si-doped PAH Article ISI SCOPUS MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY (2019)
Molecular hydrogen formation in the interstellar medium: The role of polycyclic aromatic hydrocarbons analysed by the reaction force and activation strain model Barrales-MartÃnez C.; CortÃ©s-Arriagada D.; GutiÃ©rrez-Oliva S. Article ISI SCOPUS Monthly Notices of the Royal Astronomical Society (2018)


TOWARDS RATIONAL DESIGN OF METAL-FREE CATALYSTS FOR CO2 HYDROGENATION AND METHANOL/METHANEDIOL DEHYDROGENATION FROM REVERSIBLE H2 ACTIVATION: THE STARTING POINT TO IMPLEMENT A GREEN HYDROGEN ECONOMY César Barrales-Martínez Proyecto (2024)
ASYNCHRONICITY AS A REACTIVITY ENHANCEMENT FACTOR AND ITS ROLE ON THE GENERALIZATION OF REACTIVITY-SELECTIVITY PRINCIPLES Jaque, Pablo Proyecto (2023)
Formación de CH3OH a partir de Hidrogenación de CO2 Mediada por Pares Frustrados de Lewis: Caracterización Teórica-Computacional Orientada al Diseño del Catalizador Ideal Proyecto (2020)