Ibon Alkorta
Ibon Alkorta
Instituto de Quimica Medica
Verified email at iqm.csic.es - Homepage
Title
Cited by
Cited by
Year
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
14472011
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
12692002
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
10792000
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
9282011
Non-conventional hydrogen bonds
I Alkorta, I Rozas, J Elguero
Chemical Society Reviews 27 (2), 163-170, 1998
5741998
Interaction of anions with perfluoro aromatic compounds
I Alkorta, I Rozas, J Elguero
Journal of the American Chemical Society 124 (29), 8593-8598, 2002
4842002
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
4222001
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
2812011
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
2592000
Cooperativity in multiple unusual weak bonds
I Alkorta, F Blanco, PM Deya, J Elguero, C Estarellas, A Frontera, ...
Theoretical Chemistry Accounts 126 (1-2), 1-14, 2010
2562010
Bifurcated hydrogen bonds: Three-centered interactions
I Rozas, I Alkorta, J Elguero
The Journal of Physical Chemistry A 102 (48), 9925-9932, 1998
2381998
Unusual Hydrogen Bonds: H⊙⊙⊙ π Interactions
I Rozas, I Alkorta, J Elguero
The Journal of Physical Chemistry A 101 (49), 9457-9463, 1997
2311997
Unusual Hydrogen Bonds: H⊙⊙⊙ π Interactions
I Rozas, I Alkorta, J Elguero
The Journal of Physical Chemistry A 101 (49), 9457-9463, 1997
2311997
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
2302010
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
2142013
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
1861998
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
1861997
Statistical analysis of 13C and 15N NMR chemical shifts from GIAO/B3LYP/6‐311 + + G** calculated absolute shieldings
F Blanco, I Alkorta, J Elguero
Magnetic Resonance in Chemistry 45 (9), 797-800, 2007
1812007
Competition of hydrogen bonds and halogen bonds in complexes of hypohalous acids with nitrogenated bases
I Alkorta, F Blanco, M Solimannejad, J Elguero
The Journal of Physical Chemistry A 112 (43), 10856-10863, 2008
1752008
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
1672001
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