D-Index & Metrics Best Publications

D-Index & Metrics

Discipline name D-index D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines. Citations Publications World Ranking National Ranking
Chemistry D-index 49 Citations 9,445 223 World Ranking 9286 National Ranking 3

Research.com Recognitions

Awards & Achievements

2006 - Fellow of John Simon Guggenheim Memorial Foundation

Overview

What is he best known for?

The fields of study he is best known for:

  • Organic chemistry
  • Quantum mechanics
  • Catalysis

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.

His most cited work include:

  • Quantitative analysis of molecular surfaces: areas, volumes, electrostatic potentials and average local ionization energies (785 citations)
  • New Dual Descriptor for Chemical Reactivity (532 citations)
  • An electrostatic interaction correction for improved crystal density prediction (294 citations)

What are the main themes of his work throughout his whole career to date?

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.

He most often published in these fields:

  • Computational chemistry (44.53%)
  • Molecule (21.46%)
  • Reactivity (19.03%)

What were the highlights of his more recent work (between 2014-2021)?

  • Catalysis (13.36%)
  • Computational chemistry (44.53%)
  • Photochemistry (16.19%)

In recent papers he was focusing on the following fields of study:

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.

Between 2014 and 2021, his most popular works were:

  • Aluminum and iron doped graphene for adsorption of methylated arsenic pollutants (37 citations)
  • Adsorption/desorption process of formaldehyde onto iron doped graphene: a theoretical exploration from density functional theory calculations (34 citations)
  • Conceptual density functional theory: status, prospects, issues (33 citations)

In his most recent research, the most cited papers focused on:

  • Organic chemistry
  • Quantum mechanics
  • Catalysis

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.

This overview was generated by a machine learning system which analysed the scientist’s body of work. If you have any feedback, you can contact us here.

Best Publications

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)

885 Citations

New Dual Descriptor for Chemical Reactivity

Christophe Morell;André Grand;Alejandro Toro-Labbé.
Journal of Physical Chemistry A (2005)

734 Citations

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)

357 Citations

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

Alejandro Toro-Labbé†.
Journal of Physical Chemistry A (1999)

286 Citations

Theoretical support for using the Δf(r) descriptor

Christophe Morell;André Grand;Alejandro Toro-Labbé.
Chemical Physics Letters (2006)

284 Citations

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

Pablo Jaque;Alejandro Toro-Labbé.
Journal of Chemical Physics (2002)

211 Citations

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)

142 Citations

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)

139 Citations

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)

137 Citations

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)

137 Citations

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