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DerechosPreviewFecha Public.TítuloAutor(es)Tipo
closedAccessaccesoRestringido.pdf.jpg2010New insights into factors influencing B-N bonding in X:BH 3-nFn and X:BH3-nCln for X=N 2, HCN, LiCN, H2CNH, NF3, NH3 and n=0-3: The importance of deformationAlkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Del Bene, Janet E.; Mó, Otilia CSIC ORCID; Yáñez, M.artículo
closedAccessaccesoRestringido.pdf.jpg2017Nitroxide stable radicals interacting as Lewis bases in hydrogen bonds: A search in the Cambridge structural data base for intermolecular contactsAlkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Elguero, Ericartículo
closedAccessaccesoRestringido.pdf.jpg2012Non-covalent interactionsAlkorta, Ibon CSIC ORCID ; Grabowski, S. J.artículo
openAccessinorganics-07-00035-v2.pdf.jpg5-mar-2019Non-Covalent Interactions Involving Alkaline-Earth Atoms and Lewis Bases B: An ab Initio Investigation of Beryllium and Magnesium Bonds, B···MR2 (M = Be or Mg, and R = H, F or CH3)Alkorta, Ibon CSIC ORCID ; Legon, Anthony C.artículo
closedAccessaccesoRestringido.pdf.jpg2013Non-covalent interactions: Complexes of guanidinium with DNA and RNA nucleobasesBlanco, Fernando CSIC; Kelly, Brendan; Sánchez-Sanz, Goar CSIC ORCID; Trujillo, Cristina CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Rozas, Isabelartículo
openAccessOnly_Alkorta_Ar2020.pdf.jpg2020Not Only Hydrogen Bonds: Other Noncovalent InteractionsAlkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Frontera, Antonioartículo
closedAccess2-nov-2000Novel bronchodilators: Synthesis, transamination reactions, and pharmacology of a series of pyrazino[2,3-c][1,2,6]thiadiazine 2,2-dioxidesCampillo, Nuria E. CSIC ORCID ; García-Gómez, Concepción CSIC ORCID; Goya, Pilar CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Páez, Juan A. CSIC ORCIDartículo
openAccessmolecules-22-01786-1.pdf.jpg2017Nucleophilicities of lewis bases b and electrophilicities of lewis acids a determined from the dissociation energies of complexes B· · · A Involving hydrogen bonds, tetrel bonds, pnictogen bonds, chalcogen bonds and halogen bondsAlkorta, Ibon CSIC ORCID ; Legon, Anthony C.artículo
openAccessChemical Physics Letter.pdf.jpg2023Nucleophilicities of the simplest saturated and unsaturated hydrocarbonsAlkorta, Ibon CSIC ORCID ; Legon, A.artículo
openAccessPhys. Chem. Chem. Phys..pdf.jpg2022Nucleophilicity of the boron atom in compounds R-B, (R = F, Cl, Br, I, CN, NC, CH3, SiH3, CF3, H): a new look at the inductive effects of the group RAlkorta, Ibon CSIC ORCID ; Legon, A.artículo
openAccessmolecules-24-03232.pdf.jpg5-sep-2019N…C and S…S Interactions in Complexes, Molecules, and Transition Structures HN(CH)SX:SCO, for X = F, Cl, NC, CCH, H, and CNBene, Janet E. del; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2015Observation of diastereotopic signals in 15N NMR spectroscopyAlkorta, Ibon CSIC ORCID ; Dardonville, Christophe CSIC ORCID ; Elguero, José CSIC ORCIDartículo
openAccessMolecular Physics.pdf.jpg2023On predicting bonding patterns of small clusters of alkaline-earth (Be, Mg) and triel (B, Al) fluorides: a balance between atomic size and electron-deficient characterMontero-Campillo, M. Merced CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Mó, Otilia CSIC ORCID; Elguero, José CSIC ORCID; Yañez, Manuelartículo
openAccesschemistry-03-00003-v2.pdf.jpg1-ene-2021On the 3D → 2D Isomerization of Hexaborane(12)Oliva, José M. CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Ferrer, Maxime CSIC ORCID; Burgos Gil, José Ignacioartículo
openAccessPhysical chemistry chemical physics.pdf.jpg2010On the electronic structure and stability of icosahedral r-X 2Z10H12 and Z12H12 2- clusters; R = {ortho, meta, para}, X = {C, Si}, Z = {B, Al}Oliva, José M. CSIC ORCID; Schleyer, Paul von Rague; Aullón, Gabriel; Burgos, José I.; Fernández-Barbero, Antonio; Alkorta, Ibon CSIC ORCID artículo
closedAccessaccesoRestringido.pdf.jpg2006On the existence of α-agostic bonds: Bonding analyses of titanium alkyl complexesVidal, I.; Melchor, S.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Sundberg, M. R.; Dobado, J. A.artículo
closedAccessaccesoRestringido.pdf.jpg2013On the reliability of pure and hybrid DFT methods for the evaluation of halogen, chalcogen, and pnicogen bonds involving anionic and neutral electron donorsBauzá, A.; Alkorta, Ibon CSIC ORCID ; Frontera, Antonio; Elguero, José CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2014On the transferability of atomic contributions to the optical rotatory power of hydrogen peroxide, methyl hydroperoxide and dimethyl peroxideSánchez, Marina; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Ferraro, Marta B.; Sauer, Stephan P. A.artículo
closedAccessaccesoRestringido.pdf.jpg2014Open Bis(triazolium) structural motifs as a benchmark to study combined hydrogen- and halogen-bonding interactions in oxoanion recognition processesZapata, Fabiola; Caballero, A. CSIC ORCID; Molina, P.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2013Orthogonal interactions between nitryl derivatives and electron donors: Pnictogen bondsSánchez-Sanz, Goar CSIC ORCID; Trujillo, Cristina CSIC ORCID; Solimannejad, Mohammad; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCIDartículo