José Elguero

Instituto de Química Médica — Spain

Chemistry · Physical Sciences

85h-index45.3kcitations2.1kworks1.22yr avg
OpenAlex↗ORCID↗Google Scholar↗Lab page↗

Accepting Students?

No reports yet. Know if this professor is taking students?

Research Topics

Crystallography and molecular interactions(439), Advanced Chemical Physics Studies(255), Synthesis and biological activity(244), Synthesis and Characterization of Heterocyclic Compounds(235), Synthesis and Reactions of Organic Compounds(235)

Publications2.1k total

Effect of boronation on the structure of nucleic acid bases: a quantum-chemical study
Molecular Physics·2025
A Computational Study of the NMR Chemical Shifts of Polynitropyrazoles
Magnetic Resonance in Chemistry·2025Open Access
Profesor José Luis Abbud Mas (1942-2025): Un titán de la química en fase gaseosa y del efecto del disolvente en la reactividad química en disolución
Anales de Química de la RSEQ·2025Open Access
An Empirical Equation to Transform <sup>11</sup> B GIAO‐Calculated Absolute Shieldings ( <i>σ</i> , ppm) in Chemical Shifts ( <i>δ</i> , ppm)
Magnetic Resonance in Chemistry·2025Open Access
Diborane(4) as a powerful acid–base transformer
Structural Chemistry·2025· 1 citedOpen Access
The Structure of Nitro‐ and Polynitropyrazoles: X‐Ray Crystallography Versus Theoretical Calculations
Asian Journal of Organic Chemistry·2025· 1 citedOpen Access
Author response for "An Empirical Equation to Transform &lt;SUP&gt;11&lt;/SUP&gt;B GIAO-Calculated Absolute Shieldings (&lt;i&gt;σ&lt;/i&gt;, ppm) in Chemical Shifts (&lt;i&gt;δ&lt;/i&gt;, ppm)"
2025
A Thermodynamic Scale of Multiple Bonds Reducibility Based on G4 Calculations
ChemPhysChem·2025Open Access
¡Qué grande es Avogadro!
Anales de Química de la RSEQ·2025Open Access
50º aniversario del Instituto de Química Médica (IQM-CSIC)
Anales de Química de la RSEQ·2025Open Access
Unraveling the conglomeratic nature of methanol clusters adsorbed on graphene surfaces. Insights from molecular dynamics simulations
RSC Advances·2025· 1 citedOpen Access
Boron beats nitrogen: strained boron–boron bonds as (molecular) proton sponges
Physical Chemistry Chemical Physics·2025Open Access
A theoretical study of the bond-dissociation enthalpies (BDH), N–R bond lengths and proton affinities of N-substituted pyrroles, imidazoles and pyrazoles with R substituents along the periodic table
Theoretical Chemistry Accounts·2024· 1 citedOpen Access
A combinatorial exploration of a very large set of azaboles
Structural Chemistry·2024Open Access
Conflicting findings in pyrrolo[1,2-<i>d</i>]tetrazoles: a computational study
Canadian Journal of Chemistry·2024
Unexpected Enhanced acidity of Diborane-Nitrogen Base complexes
Chemical Physics Letters·2024· 3 citedOpen Access
Diazadiborinines and related compounds: a review
ARKIVOC·2024Open Access
Cover Image
Journal of Physical Organic Chemistry·2024Open Access
Low Valence Triel (I) Systems as Hydrogen Bond Acceptors and their Stability with Respect to Triel (III) Compounds
ChemPhysChem·2024· 1 cited
Beryllium as a Base: Complexes of Be(CO)<sub>3</sub> with HX (X=F, Cl, Br, CN, NC, CCH, OH)
ChemPhysChem·2024· 2 citedOpen Access
page 1 of 106Next →

Frequent Co-authors

Ibón Alkorta(26), Isabel Rozas(12), Otília Mó(7), Manuel Yáñez(7), Javier Catalán(6), Rosa M. Claramunt(6), Antonio Frontera(4), Janet E. Del Bene(4), Fernando Blanco(3), Dolores Santa María(3), Enrique Espinosa(2), Elı́es Molins(2), Alan R. Katritzky(2), Olga V. Denisko(2), Antonio Bauzá(2), Fernando Fabero(2), María de la Concepción Foces‐Foces(2), F. H. Cano(2), R. Sastre(2), S. JULIA(2)