Mostrando resultados 9 a 22 de 22
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Derechos | Preview | Fecha Public. | Título | Autor(es) | Tipo |
openAccess | | ene-2023 | Linking the Interatomic Exchange-Correlation Energy to Experimental J‑Coupling Constants | Alkorta, Ibon CSIC ORCID; Popelier, Paul L. A. | artículo |
openAccess | | 21-dic-2021 | Perfluorination of Aromatic Compounds Reinforce Their van der Waals Interactions with Rare Gases: The Rotational Spectrum of Pentafluoropyridine-Ne | Macario, Alberto; Blanco, Susana; Alkorta, Ibon CSIC ORCID; López, Juan Carlos | artículo |
openAccess | | 2023 | Production of Dihydrogen Using Ammonia Boraneas Reagentand Pyrazoleas Catalyst | Delgado Gómez, Marta; Marazzi, Marco; Elguero, José CSIC ORCID; Ferrer, Maxime CSIC ORCID; Alkorta, Ibon CSIC ORCID | artículo |
closedAccess | | 2004 | Protic acidity of some aliphatic and alicyclic hydrocarbons in the gas phase and in solution. An empirical and computational link | Quintanilla, Esther CSIC; Dávalos, J.Z. CSIC ORCID ; Herrero, Rebeca CSIC; Jiménez Sierra, M. Pilar CSIC ; Alkorta, Ibon CSIC ORCID; Abboud, José Luis M. CSIC | artículo |
openAccess | | feb-2023 | Reduced 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, Anthony | artículo |
openAccess | | 2022 | Reduced 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, Anthony | artículo |
| | 2023 | Reply 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/D2CP03013F | Alkorta, Ibon CSIC ORCID; Plane, John M.C.; Elguero, José CSIC ORCID; Dávalos, J.Z. CSIC ORCID ; Acuña, A. Ulises CSIC; Saiz-Lopez, A. CSIC ORCID | artículo de revisión |
openAccess | | jun-2022 | Rotational Behavior of N-(5-Substituted-pyrimidin-2-yl)anilines: Relayed Electronic Effect in Two N–Ar Bond Rotations | Homma, Daiki; Taketani, Shuhei; Shirai, Takeshi; Caytan, Elsa; Roussel, Christian; Elguero, José CSIC ORCID; Alkorta, Ibon CSIC ORCID; Kitagawa, Osamu | artículo |
openAccess | | ene-2022 | Self-Assembled Lanthanide Antenna Glutathione Sensor for the Study of Immune Cells | Fueyo-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 ORCID | artículo |
openAccess | | 28-sep-2020 | Spodium Bonds: Noncovalent Interactions Involving Group 12 Elements | Bauzá, Antonio; Alkorta, Ibon CSIC ORCID; Elguero, José CSIC ORCID; Mooibroek, Tiddo J; Frontera, Antonio | artículo |
openAccess | | mar-2022 | Standup for Electrostatics:The DisiloxaneCase | Martín-Fernández, Carlos CSIC ORCID; Alkorta, Ibon CSIC ORCID; Montero-Campillo, M. Merced CSIC ORCID; Elguero, José CSIC ORCID | artículo |
openAccess | | ene-2022 | Study of the Addition Mechanism of 1H‑Indazole and Its 4‑, 5‑, 6‑, and 7‑Nitro Derivatives to Formaldehyde in Aqueous Hydrochloric Acid Solutions | Alkorta, 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, Christian | artículo |
openAccess | | 15-jun-2022 | The use of 5,10-disubstituted dibenzoazaborines and dibenzophosphaborines as cyclic supports of Frustrated Lewis Pairs for the capture of CO2 | Ferrer, Maxime CSIC ORCID; Alkorta, Ibon CSIC ORCID; Elguero, José CSIC ORCID; Oliva, José M. CSIC ORCID | artículo |
openAccess | | may-2022 | Theoretical study of the NO3 radical reaction with CH2 ClBr, CH2 ICl, CH2 BrI, CHCl2 Br, and CHClBr | Alkorta, Ibon CSIC ORCID; Plane, John M.C.; Elguero, José CSIC ORCID; Dávalos, J.Z. CSIC ORCID ; Acuña, A. Ulises CSIC; Saiz-Lopez, A. CSIC ORCID | artículo |