Alejandro Toro‐Labbé

Pontificia Universidad Católica de Chile — Chile

Physics and Astronomy · Physical Sciences

50h-index11.9kcitations295works1.12yr avg
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Research Topics

Advanced Chemical Physics Studies(114), Spectroscopy and Quantum Chemical Studies(52), Molecular Junctions and Nanostructures(37), Crystallography and molecular interactions(34), Organic Chemistry Cycloaddition Reactions(30)

Publications295 total

A chemical perspective of the 100 years of quantum mechanics
Pure and Applied Chemistry·2025
Chemical reactivity from linear response eigenfunctions and eigenvalues
The Journal of Chemical Physics·2025· 1 citedOpen Access
DFT Study of Oxygen Adsorption by Single-Atom Catalysts on N-Doped Graphene: Implications for Oxygen Reduction Reactions
ACS Applied Nano Materials·2025
How does dopamine convert into norepinephrine? Insights on the key step of the reaction
Journal of Molecular Modeling·2025· 2 cited
EXPLORING ARYL-SUBSTITUTED 1,2,3-TRIAZOLES: SYNTHESIS, CHARACTERIZATION, AND THEORETICAL INVESTIGATIONS
Journal of the Chilean Chemical Society·2024Open Access
Basis Electronic Activity of Molecular Systems. A Theory of Bond Reactivity
The Journal of Physical Chemistry A·2024· 5 cited
Foreword for the Festschrift on the occasion of the 65th birthday of Professor Pratim Kumar Chattaraj
Theoretical Chemistry Accounts·2024Open Access
Complexes between 2,2′-azobis(2-methylpropionamidine) dihydrochloride (AAPH) and cucurbit[<i>n</i>]uril hosts modulate the yield and fate of photolytically-generated AAPH radicals
RSC Advances·2024· 1 citedOpen Access
Titelbild: Electron Spin‐Dependent Electrocatalysis for the Oxygen Reduction Reaction in a Chiro‐Self‐Assembled Iron Phthalocyanine Device (Angew. Chem. 4/2024)
Angewandte Chemie·2023Open Access
Cover Picture: Electron Spin‐Dependent Electrocatalysis for the Oxygen Reduction Reaction in a Chiro‐Self‐Assembled Iron Phthalocyanine Device (Angew. Chem. Int. Ed. 4/2024)
Angewandte Chemie International Edition·2023Open Access
Electron Spin‐Dependent Electrocatalysis for the Oxygen Reduction Reaction in a Chiro‐Self‐Assembled Iron Phthalocyanine Device
Angewandte Chemie·2023· 9 cited
Electron Spin‐Dependent Electrocatalysis for the Oxygen Reduction Reaction in a Chiro‐Self‐Assembled Iron Phthalocyanine Device
Angewandte Chemie International Edition·2023· 27 cited
Using reactivity predictors for enhancing the electrocatalytic activity of MN4 molecular catalysts for the oxygen reduction reaction: The role of the N-pyridinium functional group in the porphyrazine-derivative ligands
Electrochimica Acta·2023· 11 cited
Elucidating the electronic synergetic effects in heteroatomic doped FeN4-C-N-R (R= -F, -Cl, -Br) oxygen reduction catalysts
Electrochimica Acta·2023· 9 citedOpen Access
Complexation of AAPH (2,2′-azobis(2-methylpropionamidine) dihydrochloride) with cucurbit[7]uril enhances the yield of AAPH-derived radicals
Journal of Molecular Liquids·2023· 4 cited
Digging on the mechanism of some Diels–Alder reactions: the role of the reaction electronic flux
Theoretical Chemistry Accounts·2023· 2 cited
Photoswitching/back-switching assessment of biobased cellulose acetate/azobenzene handleable films under visible-light LED irradiation
International Journal of Biological Macromolecules·2023· 2 citedOpen Access
The transition state region in nonsynchronous concerted reactions
The Journal of Chemical Physics·2023· 6 cited
Digging on the Mechanism of Some Diels-Alder Reactions. The Role of the Reaction Electronic Flux
Research Square (Research Square)·2023Open Access
High-Level Coupled-Cluster Study on Substituent Effects in H<sub>2</sub>Activation by Low-Valent Aluminyl Anions
The Journal of Physical Chemistry A·2023· 2 cited
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Frequent Co-authors

Soledad Gutiérrez‐Oliva(13), Peter Politzer(9), Jane S. Murray(8), Pablo Jaque(8), Paul W. Ayers(6), Christophe Morell(5), Pratim Kumar Chattaraj(5), Bárbara Herrera(5), Eleonora Echegaray(5), André Grand(4), Patricia Pérez(4), Felipe A. Bulat(3), Monica C. Concha(3), Paul Geerlings(3), Diego Cortés‐Arriagada(3), Jorge I. Martínez‐Araya(2), Eduardo Chamorro(2), Frank De Proft(2), Patricio Fuentealba(2), Renato Contreras(2)