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openAccessmolecules-27-00017.pdf.jpg21-dic-2021Perfluorination of Aromatic Compounds Reinforce Their van der Waals Interactions with Rare Gases: The Rotational Spectrum of Pentafluoropyridine-NeMacario, Alberto; Blanco, Susana; Alkorta, Ibon CSIC ORCID; López, Juan Carlosartículo
openAccessChemPhysChem 2023.pdf.jpg2023Production of Dihydrogen Using Ammonia Boraneas Reagentand Pyrazoleas CatalystDelgado Gómez, Marta; Marazzi, Marco; Elguero, José CSIC ORCID; Ferrer, Maxime CSIC ORCID; Alkorta, Ibon CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2004Protic acidity of some aliphatic and alicyclic hydrocarbons in the gas phase and in solution. An empirical and computational linkQuintanilla, Esther CSIC; Dávalos, J.Z. CSIC ORCID ; Herrero, Rebeca CSIC; Jiménez Sierra, M. Pilar CSIC ; Alkorta, Ibon CSIC ORCID; Abboud, José Luis M. CSICartículo
openAccessChemPlusChem - 2023 - Alkorta - Reduced Nucleophilicities.pdf.jpgfeb-2023Reduced Nucleophilicities ИB of Lewis Bases B: Is ИB Independent of Whether B is Involved in a Hydrogen Bond or a Halogen Bond?Alkorta, Ibon CSIC ORCID; Legon, Anthonyartículo
openAccessPhys. Chem. Chem. Phys., 2022.pdf.jpg2022Reduced nucleophilicity: an intrinsic property of the Lewis base atom interacting with H in hydrogen-bonds with Lewis acids HX (X = F, Cl, Br, I, CN, CCH, CP)Alkorta, Ibon CSIC ORCID; Legon, Anthonyartículo
d2cp04659h.pdf.jpg2023Reply to the ‘Comment on “Theoretical study of the NO3 radical reaction with CH2ClBr, CH2ICl, CH2BrI, CHCl2Br, and CHClBr2”’ by C. J. Nielsen and Y. Tang, Phys. Chem. Chem. Phys., 2022, 24, DOI: 10.1039/D2CP03013FAlkorta, Ibon CSIC ORCID; Plane, John M.C.; Elguero, José CSIC ORCID; Dávalos, J.Z. CSIC ORCID ; Acuña, A. Ulises CSIC; Saiz-Lopez, A. CSIC ORCIDartículo de revisión
openAccessacs.joc.2c00845.pdf.jpgjun-2022Rotational Behavior of N-(5-Substituted-pyrimidin-2-yl)anilines: Relayed Electronic Effect in Two N–Ar Bond RotationsHomma, Daiki; Taketani, Shuhei; Shirai, Takeshi; Caytan, Elsa; Roussel, Christian; Elguero, José CSIC ORCID; Alkorta, Ibon CSIC ORCID; Kitagawa, Osamuartículo
openAccessacssensors.1c02439.pdf.jpgene-2022Self-Assembled Lanthanide Antenna Glutathione Sensor for the Study of Immune CellsFueyo-González, Francisco CSIC ORCID; Espinar-Barranco, Laura; Herranz, Rosario CSIC ORCID; Alkorta, Ibon CSIC ORCID; Crovetto, Luis; Fribourg, Miguel; Paredes, Josep M.; Orte, Angel; González-Vera, Juan A. CSIC ORCIDartículo
openAccessaceptado.pdf.jpg28-sep-2020Spodium Bonds: Noncovalent Interactions Involving Group 12 ElementsBauzá, Antonio; Alkorta, Ibon CSIC ORCID; Elguero, José CSIC ORCID; Mooibroek, Tiddo J; Frontera, Antonioartículo
openAccessChemPhysChem 2022.pdf.jpgmar-2022Standup for Electrostatics:The DisiloxaneCaseMartín-Fernández, Carlos CSIC ORCID; Alkorta, Ibon CSIC ORCID; Montero-Campillo, M. Merced CSIC ORCID; Elguero, José CSIC ORCIDartículo
openAccessacs.joc.2c00154.pdf.jpgene-2022Study of the Addition Mechanism of 1H‑Indazole and Its 4‑, 5‑, 6‑, and 7‑Nitro Derivatives to Formaldehyde in Aqueous Hydrochloric Acid SolutionsAlkorta, Ibon CSIC ORCID; Claramunt, Rosa M.; Elguero, José CSIC ORCID; Gutiérrez-Puebla, Enrique CSIC ORCID; Monge, M. Ángeles CSIC ORCID; Reviriego, Felipe CSIC ORCID; Roussel, Christianartículo
openAccessThe use of 5,10-disubstitute.pdf.jpg15-jun-2022The use of 5,10-disubstituted dibenzoazaborines and dibenzophosphaborines as cyclic supports of Frustrated Lewis Pairs for the capture of CO2Ferrer, Maxime CSIC ORCID; Alkorta, Ibon CSIC ORCID; Elguero, José CSIC ORCID; Oliva, José M. CSIC ORCIDartículo
openAccessPhys. Chem. Chem. Phys..pdf.jpgmay-2022Theoretical study of the NO3 radical reaction with CH2 ClBr, CH2 ICl, CH2 BrI, CHCl2 Br, and CHClBrAlkorta, Ibon CSIC ORCID; Plane, John M.C.; Elguero, José CSIC ORCID; Dávalos, J.Z. CSIC ORCID ; Acuña, A. Ulises CSIC; Saiz-Lopez, A. CSIC ORCIDartículo