Ibón Alkorta

Research interests

Publications

• Spodium Bonds: Noncovalent Interactions Involving Group 12 Elements

  Angewandte Chemie International Edition · 2020 · 10.1002/anie.202007814

• Not Only Hydrogen Bonds: Other Noncovalent Interactions

  Crystals · 2020 · 10.3390/cryst10030180

• On the Reliability of Pure and Hybrid DFT Methods for the Evaluation of Halogen, Chalcogen, and Pnicogen Bonds Involving Anionic and Neutral Electron Donors

  Journal of Chemical Theory and Computation · 2013 · 10.1021/ct400818v

• Definition of the hydrogen bond (IUPAC Recommendations 2011)

  Pure and Applied Chemistry · 2011 · https://doi.org/10.1351/pac-rec-10-01-02

• Relationships between interaction energy, intermolecular distance and electron density properties in hydrogen bonded complexes under external electric fields

  Chemical Physics Letters · 2011 · https://doi.org/10.1016/j.cplett.2011.03.055

• Defining the hydrogen bond: An account (IUPAC Technical Report)

  Pure and Applied Chemistry · 2011 · https://doi.org/10.1351/pac-rep-10-01-01

• Structures, Energies, Bonding, and NMR Properties of Pnicogen Complexes H2XP:NXH2(X ═ H, CH3, NH2, OH, F, Cl)

  The Journal of Physical Chemistry A · 2011 · 10.1021/jp2094164

• Universal Features of the Electron Density Distribution in Hydrogen‐Bonding Regions: A Comprehensive Study Involving H⋅⋅⋅X (X=H, C, N, O, F, S, Cl, π) Interactions

  Chemistry - A European Journal · 2010 · 10.1002/chem.200901628

• Cooperativity in multiple unusual weak bonds

  Theoretical Chemistry Accounts · 2009 · 10.1007/s00214-009-0690-1

• Beryllium Bonds, Do They Exist?

  Journal of Chemical Theory and Computation · 2009 · 10.1021/ct900364y

• Competition of Hydrogen Bonds and Halogen Bonds in Complexes of Hypohalous Acids with Nitrogenated Bases

  The Journal of Physical Chemistry A · 2008 · 10.1021/jp806101t

• Statistical analysis of 13C and 15N NMR chemical shifts from GIAO/B3LYP/6‐311 + + G** calculated absolute shieldings

  Magnetic Resonance in Chemistry · 2007 · 10.1002/mrc.2053

• Interaction of Anions with Perfluoro Aromatic Compounds

  Journal of the American Chemical Society · 2002 · 10.1021/ja025693t

• 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

  The Journal of Chemical Physics · 2002 · https://doi.org/10.1063/1.1501133

• About the evaluation of the local kinetic, potential and total energy densities in closed-shell interactions

  Chemical Physics Letters · 2001 · https://doi.org/10.1016/s0009-2614(01)00178-6

• Molecular Complexes between Silicon Derivatives and Electron-Rich Groups

  The Journal of Physical Chemistry A · 2001 · 10.1021/jp002808b

• Water Clusters: Towards an Understanding Based on First Principles of Their Static and Dynamic Properties

  Angewandte Chemie International Edition · 2000 · 10.1002/(sici)1521-3773(20000218)39:4<717::aid-anie717>3.0.co;2-e

• Behavior of Ylides Containing N, O, and C Atoms as Hydrogen Bond Acceptors

  Journal of the American Chemical Society · 2000 · https://doi.org/10.1021/ja0017864

• Theoretical Study of Strong Hydrogen Bonds between Neutral Molecules: The Case of Amine Oxides and Phosphine Oxides as Hydrogen Bond Acceptors

  The Journal of Physical Chemistry A · 1998 · 10.1021/jp982644n

• Charge-Transfer Complexes between Dihalogen Compounds and Electron Donors

  The Journal of Physical Chemistry A · 1998 · 10.1021/jp982251o

• Bifurcated Hydrogen Bonds: Three-Centered Interactions

  The Journal of Physical Chemistry A · 1998 · 10.1021/jp9824813

• Non-conventional hydrogen bonds

  Chemical Society Reviews · 1998 · https://doi.org/10.1039/a827163z

• An Attractive Interaction between the π-Cloud of C6F6and Electron-Donor Atoms

  The Journal of Organic Chemistry · 1997 · 10.1021/jo970125v

• Unusual Hydrogen Bonds: H···π Interactions

  The Journal of Physical Chemistry A · 1997 · 10.1021/jp971893t

• Molecular polarization potential maps of the nucleic acid bases

  International Journal of Quantum Chemistry · 1996 · 10.1002/(sici)1097-461x(1996)57:1<123::aid-qua14>3.0.co;2-9

Current projects

No projects listed.