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Chemistry

D-Index
54
Citations
13564
World Ranking
12467
National Ranking
6

Research.com Recognitions

  • 2006 - Fellow of John Simon Guggenheim Memorial Foundation

Overview

Alejandro Toro-Labbé is affiliated with Pontificia Universidad Católica de Chile in Chile. Their research centers primarily on chemistry, with a total of 46 publications contributing to this field. Within chemistry, their work spans several subfields, including Organic Chemistry, Atomic and Molecular Physics and Optics, Materials Chemistry, Electrical and Electronic Engineering, and Renewable Energy, Sustainability and the Environment.

Their research covers multiple specialized topics such as Electrocatalysts for Energy Conversion, Advanced Chemical Physics Studies, Spectroscopy and Quantum Chemical Studies, Electrochemical Analysis and Applications, Molecular Junctions and Nanostructures, Crystallography and Molecular Interactions, and Free Radicals and Antioxidants.

Several coauthors have frequently collaborated with Alejandro Toro-Labbé, including Karina Muñoz-Becerra, José H. Zagal, Ricardo Venegas, Soledad Gutiérrez-Oliva, and Ingrid Ponce.

Their recent papers include the following works:

  • Conceptual density functional theory: status, prospects, issues (2020) published in Theoretical Chemistry Accounts
  • Formation of Formic Acid Derivatives through Activation and Hydroboration of CO2 by Low-Valent Group 14 (Si, Ge, Sn, Pb) Catalysts (2020) published in The Journal of Physical Chemistry A
  • Electron Spin-Dependent Electrocatalysis for the Oxygen Reduction Reaction in a Chiro-Self-Assembled Iron Phthalocyanine Device (2023) published in Angewandte Chemie International Edition
  • Diels-Alder reaction mechanisms of substituted chiral anthracene: A theoretical study based on the reaction force and reaction electronic flux (2020) published in Journal of Computational Chemistry
  • A statistical thermodynamics view of electron density polarisation: application to chemical selectivity (2020) published in Physical Chemistry Chemical Physics

Their work has appeared frequently in several distinguished journals. The most common publication venues include The Journal of Physical Chemistry A, Electrochimica Acta, The Cambridge Structural Database, Theoretical Chemistry Accounts, and Angewandte Chemie International Edition.

Alejandro Toro-Labbé received the Fellow of John Simon Guggenheim Memorial Foundation award in 2006, which recognizes contributions to their scientific field.

Best Publications

  • New Dual Descriptor for Chemical Reactivity

    Christophe Morell;André Grand;Alejandro Toro-Labbé

  • Quantitative analysis of molecular surfaces: areas, volumes, electrostatic potentials and average local ionization energies

    Felipe A. Bulat;Alejandro Toro-Labbé;Tore Brinck;Jane S. Murray

  • An electrostatic interaction correction for improved crystal density prediction

    Peter Politzer;Peter Politzer;Jorge Martinez;Jane S. Murray;Jane S. Murray;Monica C. Concha

  • Conceptual density functional theory: status, prospects, issues

    Paul Geerlings;Eduardo Chamorro;Pratim Kumar Chattaraj;Frank De Proft

  • Theoretical support for using the Δf(r) descriptor

    Christophe Morell;André Grand;Alejandro Toro-Labbé

  • Characterization of Chemical Reactions from the Profiles of Energy, Chemical Potential, and Hardness

    Alejandro Toro-Labbé†

  • Characterization of copper clusters through the use of density functional theory reactivity descriptors

    Pablo Jaque;Alejandro Toro-Labbé

  • Multiphilic descriptor for chemical reactivity and selectivity.

    J Padmanabhan;R Parthasarathi;M Elango;V Subramanian

  • The Woodward–Hoffmann Rules Reinterpreted by Conceptual Density Functional Theory

    Paul Geerlings;Paul W. Ayers;Alejandro Toro-Labbé;Pratim K. Chattaraj

  • Condensation of Frontier Molecular Orbital Fukui Functions

    Felipe A. Bulat;Eduardo Chamorro;Patricio Fuentealba;Alejandro Toro-Labbe

  • A new perspective on chemical and physical processes: the reaction force

    A. Toro-Labbé;S. Gutiérrez-Oliva;J. S. Murray;P. Politzer

  • Density-functional theory (hyper)polarizabilities of push-pull π-conjugated systems: Treatment of exact exchange and role of correlation

    Felipe A. Bulat;Alejandro Toro-Labbé;Benoît Champagne;Bernard Kirtman

  • The reaction force: Three key points along an intrinsic reaction coordinate

    Peter Politzer;Alejandro Toro-Labbé;Soledad Gutiérrez-Oliva;Bárbara Herrera

  • The role of reaction force and chemical potential in characterizing the mechanism of double proton transfer in the adenine-uracil complex.

    Bárbara Herrera;Alejandro Toro-Labbé

  • Comparison between experimental and theoretical scales of electrophilicity in benzhydryl cations.

    Patricia Pérez;‡ Alejandro Toro-Labbé;and Arie Aizman;Renato Contreras

  • Validity of the minimum polarizability principle in molecular vibrations and internal rotations: An ab initio SCF study

    Pratim K. Chattaraj;Patricio Fuentealba;Pablo Jaque;Alejandro Toro-Labbé

  • Theoretical aspects of chemical reactivity

    Alejandro Toro-Labbé

  • Reaction Electronic Flux: A New Concept To Get Insights into Reaction Mechanisms. Study of Model Symmetric Nucleophilic Substitutions

    Eleonora Echegaray;Alejandro Toro-Labbé

  • Theoretical Study of the Double Proton Transfer in the CHX−XH···CHX−XH (X = O, S) Complexes

    Pablo Jaque;Alejandro Toro-Labbé

  • The reaction force and the transition region of a reaction.

    Alejandro Toro-Labbé;Soledad Gutiérrez-Oliva;Jane S. Murray;Jane S. Murray;Peter Politzer;Peter Politzer

  • Reaction force analysis of the effect of Mg(II) on the 1,3 intramolecular hydrogen transfer in thymine.

    Elizabeth Rincón;Pablo Jaque;Alejandro Toro-Labbé

Frequent Co-Authors

Peter Politzer
Peter Politzer University of New Orleans
Jane S. Murray
Jane S. Murray University of New Orleans
Paul W. Ayers
Paul W. Ayers McMaster University
Paul Geerlings
Paul Geerlings Vrije Universiteit Brussel
Pratim K. Chattaraj
Pratim K. Chattaraj Birla Institute of Technology, Mesra
Patricia Pérez
Patricia Pérez San Sebastián University
José H. Zagal
José H. Zagal University of Santiago Chile
Frank De Proft
Frank De Proft Vrije Universiteit Brussel
Miquel Solà
Miquel Solà University of Girona
Henry Chermette
Henry Chermette Claude Bernard University Lyon 1

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