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Derechos | Preview | Fecha Public. | Título | Autor(es) | Tipo |
closedAccess | | 2010 | New 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 deformation | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Del Bene, Janet E.; Mó, Otilia CSIC ORCID; Yáñez, M. | artículo |
closedAccess | | 2017 | Nitroxide stable radicals interacting as Lewis bases in hydrogen bonds: A search in the Cambridge structural data base for intermolecular contacts | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Elguero, Eric | artículo |
closedAccess | | 2012 | Non-covalent interactions | Alkorta, Ibon CSIC ORCID ; Grabowski, S. J. | artículo |
openAccess | | 5-mar-2019 | Non-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 |
closedAccess | | 2013 | Non-covalent interactions: Complexes of guanidinium with DNA and RNA nucleobases | Blanco, Fernando CSIC; Kelly, Brendan; Sánchez-Sanz, Goar CSIC ORCID; Trujillo, Cristina CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Rozas, Isabel | artículo |
openAccess | | 2020 | Not Only Hydrogen Bonds: Other Noncovalent Interactions | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Frontera, Antonio | artículo |
closedAccess | | 2-nov-2000 | Novel bronchodilators: Synthesis, transamination reactions, and pharmacology of a series of pyrazino[2,3-c][1,2,6]thiadiazine 2,2-dioxides | Campillo, Nuria E. CSIC ORCID ; García-Gómez, Concepción CSIC ORCID; Goya, Pilar CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Páez, Juan A. CSIC ORCID | artículo |
openAccess | | 2017 | Nucleophilicities 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 bonds | Alkorta, Ibon CSIC ORCID ; Legon, Anthony C. | artículo |
openAccess | | 2023 | Nucleophilicities of the simplest saturated and unsaturated hydrocarbons | Alkorta, Ibon CSIC ORCID ; Legon, A. | artículo |
openAccess | | 2022 | Nucleophilicity 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 R | Alkorta, Ibon CSIC ORCID ; Legon, A. | artículo |
openAccess | | 5-sep-2019 | N…C and S…S Interactions in Complexes, Molecules, and Transition Structures HN(CH)SX:SCO, for X = F, Cl, NC, CCH, H, and CN | Bene, Janet E. del; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
closedAccess | | 2015 | Observation of diastereotopic signals in 15N NMR spectroscopy | Alkorta, Ibon CSIC ORCID ; Dardonville, Christophe CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
openAccess | | 2023 | On predicting bonding patterns of small clusters of alkaline-earth (Be, Mg) and triel (B, Al) fluorides: a balance between atomic size and electron-deficient character | Montero-Campillo, M. Merced CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Mó, Otilia CSIC ORCID; Elguero, José CSIC ORCID; Yañez, Manuel | artículo |
openAccess | | 1-ene-2021 | On 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 Ignacio | artículo |
openAccess | | 2010 | On 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 |
closedAccess | | 2006 | On the existence of α-agostic bonds: Bonding analyses of titanium alkyl complexes | Vidal, I.; Melchor, S.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Sundberg, M. R.; Dobado, J. A. | artículo |
closedAccess | | 2013 | On the reliability of pure and hybrid DFT methods for the evaluation of halogen, chalcogen, and pnicogen bonds involving anionic and neutral electron donors | Bauzá, A.; Alkorta, Ibon CSIC ORCID ; Frontera, Antonio; Elguero, José CSIC ORCID | artículo |
closedAccess | | 2014 | On the transferability of atomic contributions to the optical rotatory power of hydrogen peroxide, methyl hydroperoxide and dimethyl peroxide | Sánchez, Marina; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Ferraro, Marta B.; Sauer, Stephan P. A. | artículo |
closedAccess | | 2014 | Open Bis(triazolium) structural motifs as a benchmark to study combined hydrogen- and halogen-bonding interactions in oxoanion recognition processes | Zapata, Fabiola; Caballero, A. CSIC ORCID; Molina, P.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
closedAccess | | 2013 | Orthogonal interactions between nitryl derivatives and electron donors: Pnictogen bonds | Sánchez-Sanz, Goar CSIC ORCID; Trujillo, Cristina CSIC ORCID; Solimannejad, Mohammad; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |