2023 - Research.com Chemistry in Spain Leader Award
His main research concerns Crystallography, Computational chemistry, Hydrogen bond, Ab initio and Molecule. His work in Crystallography addresses issues such as Stereochemistry, which are connected to fields such as Medicinal chemistry and Ring. José Elguero has researched Computational chemistry in several fields, including Tautomer, Ab initio quantum chemistry methods, Atoms in molecules, Coupling constant and Chemical shift.
As part of one scientific family, José Elguero deals mainly with the area of Hydrogen bond, narrowing it down to issues related to the Intramolecular force, and often Resonance. His studies deal with areas such as Lone pair, Trimer, Interaction energy, Atom and Binding energy as well as Ab initio. His Molecule research includes themes of Protonation, Benzene, Proton and Density functional theory.
José Elguero spends much of his time researching Crystallography, Computational chemistry, Stereochemistry, Molecule and Hydrogen bond. His research investigates the link between Crystallography and topics such as Binding energy that cross with problems in Halogen. The concepts of his Computational chemistry study are interwoven with issues in Tautomer, Ab initio quantum chemistry methods, Protonation, Coupling constant and Chemical shift.
His biological study deals with issues like Medicinal chemistry, which deal with fields such as Organic chemistry. His Molecule study frequently involves adjacent topics like Crystal. His Hydrogen bond research is multidisciplinary, incorporating perspectives in Hydrogen, Intramolecular force, Proton and Photochemistry.
His primary areas of study are Crystallography, Molecule, Binding energy, Computational chemistry and Hydrogen bond. His research in Crystallography intersects with topics in Halogen, Non-covalent interactions, Lewis acids and bases, Ab initio and Stereochemistry. His Molecule study combines topics from a wide range of disciplines, such as Solvent effects, Electron donor and Transition state.
His studies in Binding energy integrate themes in fields like Lone pair, Base, Covalent bond, Intermolecular force and Coupling constant. His Computational chemistry study combines topics in areas such as Protonation, Electron, Tautomer and Chemical shift. His Hydrogen bond research integrates issues from Hydrogen, Natural bond orbital and Intramolecular force.
José Elguero mostly deals with Crystallography, Binding energy, Ab initio, Hydrogen bond and Computational chemistry. His study in Crystallography is interdisciplinary in nature, drawing from both Molecule, Lone pair, Halogen, Covalent bond and Stereochemistry. His work in the fields of Stereochemistry, such as Substituent, intersects with other areas such as Gene isoform.
His work carried out in the field of Ab initio brings together such families of science as Hydrogen, Singlet state, Group and Coupling constant. The various areas that José Elguero examines in his Hydrogen bond study include Electrostatics, Solvent effects, Chalcogen and Imidazole. His Computational chemistry research includes elements of Chemical shift and Electron, Electron density, Atoms in molecules.
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.
From weak to strong interactions: A comprehensive analysis of the topological and energetic properties of the electron density distribution involving X–H⋯F–Y systems
Enrique Espinosa;Ibon Alkorta;José Elguero;Elies Molins.
Journal of Chemical Physics (2002)
Behavior of Ylides Containing N, O, and C Atoms as Hydrogen Bond Acceptors
Isabel Rozas;and Ibon Alkorta;José Elguero.
Journal of the American Chemical Society (2000)
The Tautomerism of heterocycles
José Elguero.
(1976)
Interaction of Anions with Perfluoro Aromatic Compounds
Ibon Alkorta;Isabel Rozas;José Elguero.
Journal of the American Chemical Society (2002)
About the evaluation of the local kinetic, potential and total energy densities in closed-shell interactions
E. Espinosa;I. Alkorta;I. Rozas;J. Elguero.
Chemical Physics Letters (2001)
Basicity and Acidity of Azoles
Javier Catalan;Jose Elguero.
Advances in Heterocyclic Chemistry (1987)
Water Clusters: Towards an Understanding Based on First Principles of Their Static and Dynamic Properties
Jesus M. Ugalde;Ibon Alkorta;José Elguero.
Angewandte Chemie (2000)
Cooperativity in multiple unusual weak bonds
Ibon Alkorta;Fernando Blanco;Pere M. Deyà;José Elguero.
Theoretical Chemistry Accounts (2010)
Carbon-13 Magnetic Resonance Studies of Azoles. Tautomerism, Shift Reagent Effects, and Solvent Effects
Jose Elguero;Claude Marzin;John D. Roberts.
Journal of Organic Chemistry (1974)
N‐polyazolylmethanes. 1. Synthesis and nmr study of N,N′‐diazolylmethanes
Sebastian Juliá;Pilar Sala;José Del Mazo;Manuel Sancho.
Journal of Heterocyclic Chemistry (1982)
If you think any of the details on this page are incorrect, let us know.
We appreciate your kind effort to assist us to improve this page, it would be helpful providing us with as much detail as possible in the text box below:
Spanish National Research Council
National University of Distance Education
Youngstown State University
Autonomous University of Madrid
Autonomous University of Madrid
Autonomous University of Madrid
University of Murcia
University of Aveiro
Freie Universität Berlin
University of Castilla-La Mancha
Hong Kong University of Science and Technology
Fraunhofer Institute for Telecommunications, Heinrich Hertz Institute
University of Southern California
Osaka University
Johns Hopkins University
University of Michigan–Ann Arbor
University of Massachusetts Amherst
University of Michigan–Ann Arbor
University of Georgia
University of Melbourne
Dalhousie University
Centre national de la recherche scientifique, CNRS
University of Washington
Yale University
University of Florida
University of Illinois at Chicago