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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.
Papers
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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
TL;DR: In this paper, the topological and energetic properties of the electron density distribution ρ(r) of isolated pairwise H⋯F interaction have been theoretically calculated at several geometries and represented against the corresponding internuclear distances.
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Definition of the hydrogen bond (IUPAC Recommendations 2011)
Elangannan Arunan,Gautam R. Desiraju,Roger A. Klein,Joanna Sadlej,Steve Scheiner,Ibon Alkorta,David C. Clary,Robert H. Crabtree,J. J. Dannenberg,Pavel Hobza,Henrik G. Kjaergaard,Anthony C. Legon,Benedetta Mennucci,David J. Nesbitt +13 more
TL;DR: In this paper, a novel definition for the hydrogen bond is proposed, which takes into account the theoretical and experimental knowledge acquired over the past century, and six criteria are listed that could be used as evidence for the presence of a hydrogen bond.
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Defining the hydrogen bond: An account (IUPAC Technical Report)
Elangannan Arunan,Gautam R. Desiraju,Roger A. Klein,Joanna Sadlej,Steve Scheiner,Ibon Alkorta,David C. Clary,Robert H. Crabtree,J. J. Dannenberg,Pavel Hobza,Henrik G. Kjaergaard,Anthony C. Legon,Benedetta Mennucci,David J. Nesbitt +13 more
TL;DR: In this paper, a new definition of the hydrogen bond is proposed, which emphasizes the need for evidence, and a list of criteria has been provided, and these can be used as evidence for hydrogen bond formation.
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Non-conventional hydrogen bonds
TL;DR: In this paper, the authors define the hydrogen bond as an attractive interaction between two molecular moieties in which at least one of them contains a hydrogen atom that plays a fundamental role.
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Interaction of Anions with Perfluoro Aromatic Compounds
TL;DR: The complexes formed by a variety of anions with perfluoro derivatives of benzene, naphthalene, pyridine, thiophene, and furan have been calculated using DFT (B3LYP/6-31++G**) and MP2 and the AIM analysis of the electron density shows a varieties of topologies depending on the aromatic system considered.