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Ibon Alkorta
Researcher at Spanish National Research Council
Publications - 896
Citations - 25804
Ibon Alkorta is an academic researcher from Spanish National Research Council. The author has contributed to research in topics: Hydrogen bond & Ab initio. The author has an hindex of 68, co-authored 856 publications receiving 23258 citations. Previous affiliations of Ibon Alkorta include National University of Distance Education & Saint Petersburg State University.
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About the evaluation of the local kinetic, potential and total energy densities in closed-shell interactions
TL;DR: In this paper, the local kinetic G( r ), potential V( r ), and total energy densities, calculated at the critical points of 37 H⋯F closed-shell interactions by quantum mechanical methods, have been compared to their estimated values obtained by using an approximate evaluation of G(r ) and the local form of the virial theorem.
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Relationships between interaction energy, intermolecular distance and electron density properties in hydrogen bonded complexes under external electric fields
TL;DR: In this paper, the hydrogen bond interaction energy (E HB ) of HF⋯HR (R = H, Li, Al, Cl, CCH) complexes under external electric fields is investigated in terms of the bonding distance and of several properties at the bond critical point.
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Not Only Hydrogen Bonds: Other Noncovalent Interactions
TL;DR: In this paper, the authors provide a consistent description of noncovalent interactions covering most groups of the Periodic Table and discuss different types of bonds using their trivial names, such as spodium bonds, triel, tetrel, chalcogen, halogen, and aerogen.
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Cooperativity in multiple unusual weak bonds
Ibon Alkorta,Fernando Blanco,Pere M. Deyà,José Elguero,Carolina Estarellas,Antonio Frontera,David Quiñonero +6 more
TL;DR: In this article, a review of the literature concerning cooperativity in multiple weak bonds is presented, including a summary of literature results and a theoretical study of a complete series of model complexes.
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On the Reliability of Pure and Hybrid DFT Methods for the Evaluation of Halogen, Chalcogen, and Pnicogen Bonds Involving Anionic and Neutral Electron Donors.
TL;DR: A comprehensive theoretical study of halogen, chalcogen, and pnicogen bonding interactions using a large set of pure and hybrid functionals and some ab initio methods finds that the pure and some hybrid functional largely overestimate the interaction energies when the donor atom is anionic or Br(-).