Ibón Alkorta

University of Bristol — United Kingdom

Chemistry · Physical Sciences

77h-index32.8kcitations1.2kworks1.52yr avg
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Research Topics

Crystallography and molecular interactions(419), Advanced Chemical Physics Studies(261), Crystallization and Solubility Studies(161), X-ray Diffraction in Crystallography(157), Inorganic Fluorides and Related Compounds(153)

Publications1.2k 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
Cover Feature: Unveiling the Dual Nature of the Smallest Aqueous Ferrocene Complex
Chemistry - A European Journal·2025Open Access
A Thermodynamic Scale of Multiple Bonds Reducibility Based on G4 Calculations
ChemPhysChem·2025Open Access
Variation of Nucleophilicity <i>N</i><sub>H<i>n</i>A</sub> of Atoms A in Hydrides H<sub><i>n</i></sub>A with the Group and Row of A in the Periodic Table
ChemPhysChem·2025· 1 citedOpen Access
Reactions of 1,4‐Diborinine Derivatives with CO<sub>2</sub>
ChemPhysChem·2025· 1 citedOpen Access
Unveiling the Dual Nature of the Smallest Aqueous Ferrocene Complex
Chemistry - A European Journal·2025Open Access
Nucleophilicity of diatomic Lewis bases MA in hydrogen-bonded complexes MA⋯HX: influence of the group and row of M in the periodic table
Physical Chemistry Chemical Physics·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
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Frequent Co-authors

José Elguero(40), Isabel Rozas(13), Enrique Espinosa(8), Elı́es Molins(8), Janet E. Del Bene(8), I. Mata(6), Goar Sánchez‐Sanz(5), Antonio Frontera(4), Fernando Blanco(4), Manuel Yáñez(3), Otília Mó(3), Concepción Foces‐Foces(3), E. Arunan(2), Gautam R. Desiraju(2), Roger A. Klein(2), Joanna Sadlej(2), Steve Scheiner(2), David C. Clary(2), Robert H. Crabtree(2), Joseph J. Dannenberg(2)