Alejandro Miguel Toro-Labbé, Ph. D
Affiliations: | Quimica | Pontificia Universidad Catolica Chile |
Area:
Theoretical ChemistryWebsite:
http://quimicateorica.uc.cl/integrantes/alejandrotorolabbe.htmlGoogle:
"Alejandro Toro-Labbé"Mean distance: 11.36
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Publications
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| Benítez FJ, Gutiérrez-Oliva S, Herrera B, et al. (2024) Basis Electronic Activity of Molecular Systems. A Theory of Bond Reactivity. The Journal of Physical Chemistry. A |
| Gómez S, Rojas-Valencia N, Toro-Labbé A, et al. (2023) The transition state region in nonsynchronous concerted reactions. The Journal of Chemical Physics. 158: 084109 |
| Forero-Girón AC, Toro-Labbé A. (2022) How Does Electronic Activity Drive Chemical Reactions? Insights from the Reaction Electronic Flux for the Conversion of Dopamine into Norepinephrine. The Journal of Physical Chemistry. A. 126: 4156-4163 |
| Hoobler PR, Villegas-Escobar N, Turney JM, et al. (2021) Substituent Effects on Aluminyl Anions and Derived Systems: A High-Level Theory. The Journal of Physical Chemistry. A. 125: 10379-10391 |
| Villegas-Escobar N, Toro-Labbé A, Schaefer HF. (2021) Contrasting the Mechanism of H Activation by Monomeric and Potassium-Stabilized Dimeric Al Complexes: Do Potassium Atoms Exert any Cooperative Effect? Chemistry (Weinheim An Der Bergstrasse, Germany). 27: 17369-17378 |
| Barrales-Martínez C, Gutiérrez-Oliva S, Toro-Labbé A, et al. (2021) Interacting Quantum Atoms Analysis of the Reaction Force: A Tool to Analyze Driving and Retarding Forces in Chemical Reactions. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 22: 1976-1988 |
| Guégan F, Tognetti V, Martínez-Araya JI, et al. (2020) A statistical thermodynamics view of electron density polarisation: application to chemical selectivity. Physical Chemistry Chemical Physics : Pccp |
| Hernández Mancera JP, Núñez-Zarur F, Gutiérrez-Oliva S, et al. (2020) Diels-Alder reaction mechanisms of substituted chiral anthracene: A theoretical study based on the reaction force and reaction electronic flux. Journal of Computational Chemistry |
| Ayers PW, Chattaraj PK, De Proft F, et al. (2020) Tribute to Paul Geerlings. The Journal of Physical Chemistry. A. 124: 5061-5062 |
| Urcelay F, Toro-Labbé A, Gutiérrez-Oliva S. (2020) Spectral Decomposition of the Reaction Force Constant. The Journal of Physical Chemistry. A. 124: 2372-2379 |