2006 - Fellow of John Simon Guggenheim Memorial Foundation
His primary areas of study are Computational chemistry, Molecule, Reaction coordinate, Atomic physics and Density functional theory. His studies deal with areas such as Chemical reaction, Acceptor, Electrophile, Reactivity and Solvent effects as well as Computational chemistry. His Molecule research is multidisciplinary, incorporating elements of Selectivity and Nucleophile.
His Reaction coordinate research is multidisciplinary, incorporating perspectives in Hammond's postulate, Relaxation, Reaction, Intramolecular force and Reaction mechanism. His Reaction research includes elements of Potential energy and Transition state. His Atomic physics research includes themes of Chemical physics, Molecular vibration, Ring and Ionization energy.
Alejandro Toro-Labbé spends much of his time researching Computational chemistry, Molecule, Reactivity, Density functional theory and Photochemistry. His biological study spans a wide range of topics, including Chemical physics, Electrophile, Chemical reaction and Reaction mechanism. His study explores the link between Reaction mechanism and topics such as Reaction that cross with problems in Proton, Potential energy, Physical chemistry and Energy profile.
His research investigates the connection with Molecule and areas like Isomerization which intersect with concerns in Thermodynamics. Alejandro Toro-Labbé has included themes like Inorganic chemistry, Fukui function and Adsorption in his Reactivity study. Alejandro Toro-Labbé works mostly in the field of Photochemistry, limiting it down to topics relating to Catalysis and, in certain cases, Ligand, Hydride, Medicinal chemistry, Polymerization and Polymer chemistry.
Alejandro Toro-Labbé mainly investigates Catalysis, Computational chemistry, Photochemistry, Ligand and Reaction mechanism. His Ab initio research extends to Computational chemistry, which is thematically connected. His work is dedicated to discovering how Photochemistry, Proton are connected with Intramolecular force and other disciplines.
As a part of the same scientific study, he usually deals with the Ligand, concentrating on Crystallography and frequently concerns with Molecule, Cycloaddition and Reaction path. As a member of one scientific family, he mostly works in the field of Reaction mechanism, focusing on Reaction and, on occasion, Carbocation and Potential energy. The concepts of his Reactivity study are interwoven with issues in Inorganic chemistry and Adsorption.
The scientist’s investigation covers issues in Adsorption, Photochemistry, Inorganic chemistry, Graphene and Density functional theory. His Photochemistry study combines topics in areas such as Crystallography, Excited state, Catalysis, Reaction mechanism and Proton. Within one scientific family, Alejandro Toro-Labbé focuses on topics pertaining to Carbocation under Reaction mechanism, and may sometimes address concerns connected to Computational chemistry.
His Computational chemistry study combines topics from a wide range of disciplines, such as Hydrogen, Acceptor and Acetylene. Alejandro Toro-Labbé focuses mostly in the field of Proton, narrowing it down to matters related to Dimer and, in some cases, Reactivity. His Density functional theory research integrates issues from Connection and Energy functional.
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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.
Journal of Molecular Modeling (2010)
New Dual Descriptor for Chemical Reactivity
Christophe Morell;André Grand;Alejandro Toro-Labbé.
Journal of Physical Chemistry A (2005)
An electrostatic interaction correction for improved crystal density prediction
Peter Politzer;Peter Politzer;Jorge Martinez;Jane S. Murray;Jane S. Murray;Monica C. Concha.
Molecular Physics (2009)
Characterization of Chemical Reactions from the Profiles of Energy, Chemical Potential, and Hardness
Alejandro Toro-Labbé†.
Journal of Physical Chemistry A (1999)
Theoretical support for using the Δf(r) descriptor
Christophe Morell;André Grand;Alejandro Toro-Labbé.
Chemical Physics Letters (2006)
Characterization of copper clusters through the use of density functional theory reactivity descriptors
Pablo Jaque;Alejandro Toro-Labbé.
Journal of Chemical Physics (2002)
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.
Journal of Chemical Physics (2005)
Comparison between experimental and theoretical scales of electrophilicity in benzhydryl cations.
Patricia Pérez;‡ Alejandro Toro-Labbé;and Arie Aizman;Renato Contreras.
Journal of Organic Chemistry (2002)
A new perspective on chemical and physical processes: the reaction force
A. Toro-Labbé;S. Gutiérrez-Oliva;J. S. Murray;P. Politzer.
Molecular Physics (2007)
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.
Journal of Physical Chemistry A (1999)
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