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

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294 articles

194 articles

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Janet E. Del BeneYoungstown State UniversityCorreu electrònic verificat a ysu.edu
Rosa M ClaramuntProfessor of Organic Chemistry, UNEDCorreu electrònic verificat a ccia.uned.es
Isabel RozasProfessor, Trinity College DublinCorreu electrònic verificat a tcd.ie
Otilia MoUniversidad Autónoma de MadridCorreu electrònic verificat a uam.es
Fernando Blanco VicenteFarmacia Blanco VicenteCorreu electrònic verificat a farmaciablancovicente.com
Cristina TrujilloLecturer in Computational & Theoretical Chemistry Department of Chemistry The University ofCorreu electrònic verificat a manchester.ac.uk
Anthony LegonProfessor of Physical Chemistry, University of BristolCorreu electrònic verificat a bristol.ac.uk
Elies MolinsResearch Professor, CSICCorreu electrònic verificat a icmab.es
M. Merced Montero-CampilloUniversidad Autónoma de MadridCorreu electrònic verificat a uam.es
Concepción LópezProfesora de Química Orgánica (UNED)Correu electrònic verificat a ccia.uned.es
Steve ScheinerUtah State UnivCorreu electrònic verificat a usu.edu
Marta Marin-LunaAssistant Professor, University of MurciaCorreu electrònic verificat a um.es
Josep M. Oliva-EnrichPhysical Chemistry Institute "Blas Cabrera" (CSIC)Correu electrònic verificat a IQFR.CSIC.ES
David C. ClaryProfessor of Chemistry, University of OxfordCorreu electrònic verificat a chem.ox.ac.uk
Antonio FronteraUniversidad de las Islas BalearesCorreu electrònic verificat a uib.es
Elangannan ArunanProfessor, Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore.Correu electrònic verificat a iisc.ac.in
Jose Luis Abbud MasProfesor de Investigación del Instituto Rocasolano, CSIC, Jubilado. Visitante, Universidad de TartuCorreu electrònic verificat a ut.ee
Artur M. S. SilvaUniversity of AveiroCorreu electrònic verificat a ua.pt
Paul PopelierProfessor of Chemical Theory and ComputationCorreu electrònic verificat a manchester.ac.uk
Oscar PicazoUniversidad Complutense de MadridCorreu electrònic verificat a ucm.es

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

Instituto de Química Médica (CSIC)

Correu electrònic verificat a iqm.csic.es - Pàgina d'inici

computational chemistry


Títol Ordena per cites Ordena per any Ordena per títol	Citada per Citada per	Any
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	2220	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	1855	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	1665	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	1200	2011
Non-conventional hydrogen bonds I Alkorta, I Rozas, J Elguero Chemical Society Reviews 27 (2), 163-170, 1998	716	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	560	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	481	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	399	2011
Not only hydrogen bonds: Other noncovalent interactions I Alkorta, J Elguero, A Frontera Crystals 10 (3), 180, 2020	385	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	288	2010
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	287	2013
Bifurcated hydrogen bonds: three-centered interactions I Rozas, I Alkorta, J Elguero The Journal of Physical Chemistry A 102 (48), 9925-9932, 1998	284	1998
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	271	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	259	2010
Unusual Hydrogen Bonds: H⊙⊙⊙ π Interactions I Rozas, I Alkorta, J Elguero The Journal of Physical Chemistry A 101 (49), 9457-9463, 1997	242	1997
Potential benefits and risks for soil health derived from the use of organic amendments in agriculture J Urra, I Alkorta, C Garbisu Agronomy 9 (9), 542, 2019	237	2019
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	215	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	207	1997
Molecular polarization potential maps of the nucleic acid bases I Alkorta, JJ Perez International Journal of Quantum Chemistry 57 (1), 123-135, 1996	207	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	201	2001

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