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 | 2074 | 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 | 1721 | 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 | 1541 | 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 | 1146 | 2011 |
Non-conventional hydrogen bonds I Alkorta, I Rozas, J Elguero Chemical Society Reviews 27 (2), 163-170, 1998 | 674 | 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 | 546 | 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 | 457 | 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 | 374 | 2011 |
Not only hydrogen bonds: Other noncovalent interactions I Alkorta, J Elguero, A Frontera Crystals 10 (3), 180, 2020 | 331 | 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 | 281 | 2010 |
Bifurcated hydrogen bonds: three-centered interactions I Rozas, I Alkorta, J Elguero The Journal of Physical Chemistry A 102 (48), 9925-9932, 1998 | 279 | 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 | 278 | 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 | 269 | 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 | 254 | 2010 |
Unusual Hydrogen Bonds: H⊙⊙⊙ π Interactions I Rozas, I Alkorta, J Elguero The Journal of Physical Chemistry A 101 (49), 9457-9463, 1997 | 250 | 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 | 204 | 1997 |
Molecular polarization potential maps of the nucleic acid bases I Alkorta, JJ Perez International Journal of Quantum Chemistry 57 (1), 123-135, 1996 | 203 | 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 | 199 | 2001 |
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 | 196 | 2007 |