Ibon Alkorta(ORCID:0000-0001-6876-6211)

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Janet E. Del BeneYoungstown State UniversityVerified email at ysu.edu
Rosa M ClaramuntProfessor of Organic Chemistry, UNEDVerified email at ccia.uned.es
Isabel RozasProfessor, Trinity College DublinVerified email at tcd.ie
Otilia MoUniversidad Autónoma de MadridVerified email at uam.es
Fernando Blanco VicenteFarmacia Blanco VicenteVerified email at farmaciablancovicente.com
Cristina TrujilloLecturer in Computational & Theoretical Chemistry Department of Chemistry The University ofVerified email at manchester.ac.uk
Elies MolinsResearch Professor, CSICVerified email at icmab.es
Anthony LegonProfessor of Physical Chemistry, University of BristolVerified email at bristol.ac.uk
M. Merced Montero-CampilloUniversidad Autónoma de MadridVerified email at uam.es
Concepción LópezProfesora de Química Orgánica (UNED)Verified email at ccia.uned.es
Steve ScheinerUtah State UnivVerified email at usu.edu
Marta Marin-LunaAssistant Professor, University of MurciaVerified email at um.es
David C. ClaryProfessor of Chemistry, University of OxfordVerified email at chem.ox.ac.uk
Josep M. Oliva-EnrichPhysical Chemistry Institute "Blas Cabrera" (CSIC)Verified email at IQFR.CSIC.ES
Antonio FronteraUniversidad de las Islas BalearesVerified email at uib.es
Jose Luis Abbud MasProfesor de Investigación del Instituto Rocasolano, CSIC, Jubilado. Visitante, Universidad de TartuVerified email at ut.ee
Elangannan ArunanProfessor of Chemistry Indian Institute of ScienceVerified email at iisc.ac.in
Artur M. S. SilvaUniversity of AveiroVerified email at ua.pt
Paul PopelierProfessor of Chemical Theory and ComputationVerified email at manchester.ac.uk
Patricio F. ProvasiProfessor of physics, University of Northeastern - CONICETVerified email at unne.edu.ar

Ibon Alkorta(ORCID:0000-0001-6876-6211)

Instituto de Química Médica (CSIC)

Verified email at iqm.csic.es - Homepage

computational chemistry


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Definition of the hydrogen bond (IUPAC Recommendations 2011) E Arunan, GR Desiraju, RA Klein, J Sadlej, S Scheiner, I Alkorta, DC Clary, ... Pure and applied chemistry 83 (8), 1637-1641, 2011	2028	2011
From weak to strong interactions: A comprehensive analysis of the topological and energetic properties of the electron density distribution involving systems E Espinosa, I Alkorta, J Elguero, E Molins The Journal of chemical physics 117 (12), 5529-5542, 2002	1683	2002
Behavior of ylides containing N, O, and C atoms as hydrogen bond acceptors I Rozas, I Alkorta, J Elguero Journal of the American Chemical Society 122 (45), 11154-11161, 2000	1514	2000
Defining the hydrogen bond: An account (IUPAC Technical Report) E Arunan, GR Desiraju, RA Klein, J Sadlej, S Scheiner, I Alkorta, DC Clary, ... Pure and Applied Chemistry 83 (8), 1619-1636, 2011	1129	2011
Non-conventional hydrogen bonds I Alkorta, I Rozas, J Elguero Chemical Society Reviews 27 (2), 163-170, 1998	667	1998
Interaction of anions with perfluoro aromatic compounds I Alkorta, I Rozas, J Elguero Journal of the American Chemical Society 124 (29), 8593-8598, 2002	545	2002
About the evaluation of the local kinetic, potential and total energy densities in closed-shell interactions E Espinosa, I Alkorta, I Rozas, J Elguero, E Molins Chemical physics letters 336 (5-6), 457-461, 2001	454	2001
Relationships between interaction energy, intermolecular distance and electron density properties in hydrogen bonded complexes under external electric fields I Mata, I Alkorta, E Espinosa, E Molins Chemical Physics Letters 507 (1-3), 185-189, 2011	370	2011
Not only hydrogen bonds: Other noncovalent interactions I Alkorta, J Elguero, A Frontera Crystals 10 (3), 180, 2020	318	2020
Cooperativity in multiple unusual weak bonds I Alkorta, F Blanco, PM Deya, J Elguero, C Estarellas, A Frontera, ... Theoretical Chemistry Accounts 126, 1-14, 2010	280	2010
Bifurcated hydrogen bonds: three-centered interactions I Rozas, I Alkorta, J Elguero The Journal of Physical Chemistry A 102 (48), 9925-9932, 1998	275	1998
On the reliability of pure and hybrid DFT methods for the evaluation of halogen, chalcogen, and pnicogen bonds involving anionic and neutral electron donors A Bauza, I Alkorta, A Frontera, J Elguero Journal of chemical theory and computation 9 (11), 5201-5210, 2013	273	2013
Water clusters: Towards an understanding based on first principles of their static and dynamic properties JM Ugalde, I Alkorta, J Elguero Angewandte Chemie International Edition 39 (4), 717-721, 2000	267	2000
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 I Mata, I Alkorta, E Molins, E Espinosa Chemistry–A European Journal 16 (8), 2442-2452, 2010	253	2010
Unusual Hydrogen Bonds: H⊙⊙⊙ π Interactions I Rozas, I Alkorta, J Elguero The Journal of Physical Chemistry A 101 (49), 9457-9463, 1997	247	1997
Unusual Hydrogen Bonds: H⊙⊙⊙ π Interactions I Rozas, I Alkorta, J Elguero The Journal of Physical Chemistry A 101 (49), 9457-9463, 1997	247	1997
Charge-transfer complexes between dihalogen compounds and electron donors I Alkorta, I Rozas, J Elguero The Journal of Physical Chemistry A 102 (46), 9278-9285, 1998	212	1998
An attractive interaction between the π-cloud of C6F6 and electron-donor atoms I Alkorta, I Rozas, J Elguero The Journal of Organic Chemistry 62 (14), 4687-4691, 1997	203	1997
Molecular polarization potential maps of the nucleic acid bases I Alkorta, JJ Perez International Journal of Quantum Chemistry 57 (1), 123-135, 1996	199	1996
Molecular complexes between silicon derivatives and electron-rich groups I Alkorta, I Rozas, J Elguero The Journal of Physical Chemistry A 105 (4), 743-749, 2001	198	2001

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