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| Derechos | Preview | Fecha Public. | Título | Autor(es) | Tipo |
| openAccess |  | 2017 | Theoretical study of intramolecular interactions in peri-substituted naphthalenes: Chalcogen and hydrogen bonds | Sánchez-Sanz, Goar CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| closedAccess |  | 2007 | Theoretical study of neutral and protonated triple bonded molecules formed between C, N, Si, P, B and Al | Alkorta, Ibon CSIC ORCID ; Rozas, Isabel; Elguero, José CSIC ORCID | artículo |
| closedAccess |  | 2008 | Theoretical study of racemization in chiral alkenylidene truxenes | Alkorta, Ibon CSIC ORCID ; Blanco, Fernando CSIC; Elguero, José CSIC ORCID | artículo |
| closedAccess |  | 2019 | Theoretical study of some λ5-phosphinines and their NMR spectra | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Fruchier, Alain | artículo |
| closedAccess |  | 2011 | Theoretical study of the 1:1 and 2:1 (homo- and heterochiral) complexes of XOOX′ (X, X′ = H, CH3) with lithium cation | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Provasi, Patricio F.; Ferraro, Marta B. | artículo |
| closedAccess |  | 2006 | Theoretical study of the bond energy in n-silanes and n-germanes: Comparison with n-alkanes | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| closedAccess |  | 2015 | Theoretical study of the geometrical, energetic and NMR properties of atranes | Marín-Luna, Marta CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| closedAccess |  | 2011 | Theoretical study of the HXYH dimers (X,Y=O, S, Se). Hydrogen bonding and chalcogen-chalcogen interactions | Sánchez-Sanz, Goar CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| closedAccess |  | 2013 | Theoretical study of the mutarotation of erythrose and threose: Acid catalysis | Azofra, Luis Miguel CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José 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 |
| closedAccess |  | 2005 | Thermochemical properties of two benzimidazole derivatives: 2-Phenyl- and 2-benzylbenzimidazole | Ribeiro da Silva, Manuel A. V.; Ribeiro da Silva, Maria das Dores M. C.; Amaral, L. M. P. F.; Elguero, José CSIC ORCID; Jiménez Sierra, M. Pilar CSIC ; Roux, María Victoria CSIC ; Dávalos, J.Z. CSIC ORCID ; Temprado, Manuel CSIC ORCID; Cabildo, Pilar; Claramunt, Rosa M.; Mó, Otilia CSIC ORCID; Yañez, M. | artículo |
| closedAccess |  | 2012 | Thermodynamic and hydrogen-bond basicity of phosphine oxides: Effect of the ring strain | Trujillo, Cristina CSIC ORCID; Sánchez-Sanz, Goar CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| closedAccess |  | 2011 | Thermodynamic and kinetic effects of Lewis acid complexation on a Schiff base present in two tautomeric forms | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Popelier, Paul L. A. | artículo |
| closedAccess |  | 2014 | Traditional and ion-pair halogen-bonded complexes between chlorine and bromine derivatives and a nitrogen-heterocyclic carbene | Donoso-Tauda, Oscar; Jaque, Pablo; Elguero, José CSIC ORCID; Alkorta, Ibon CSIC ORCID | artículo |
| closedAccess |  | 2017 | Trapping CO2 by Adduct Formation with Nitrogen Heterocyclic Carbenes (NHCs): A Theoretical Study | Alkorta, Ibon CSIC ORCID ; Montero-Campillo, M. Merced CSIC ORCID; Elguero, José CSIC ORCID | artículo |
| closedAccess |  | 2018 | Trapping One Electron between Three Beryllium Atoms: Very Strong One-Electron Three-Center Bonds | Alkorta, Ibon CSIC ORCID ; Montero-Campillo, M. Merced CSIC ORCID; Elguero, José CSIC ORCID; Yañez, Manuel; Mó, Otilia CSIC ORCID | artículo |
| closedAccess |  | 2011 | Triazolo[1,5-a]pyridyl phosphines reflecting the influence of phosphorus lone pair orientation on spectroscopic properties | Ballesteros-Garrido, R.; Bonnafoux, L.; Blanco, Fernando CSIC; Ballesteros, R.; Leroux, Frédérc R.; Abarca, B.; Colobert, François; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| closedAccess |  | 2010 | Trifluoro-3-hydroxy-1H-indazolecarboxylic acids and esters from perfluorinated benzenedicarboxylic acids | Medina, C. P.; López, C.; Claramunt, Rosa M.; Elguero, José CSIC ORCID | artículo |
| closedAccess |  | 2012 | Two polymorphs of 8-hydroxycarbostyril: X-ray crystallography, solid-state NMR and DFT calculations | Nieto, Carla I.; García, M. Ángeles; Farrán, M. Ángeles; Claramunt, Rosa M.; Torres, M. Rosario; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| openAccess |  | 18-abr-2023 | Two Shared Icosahedral Metallacarboranes through Iron: A Joint Experimental and Theoretical Refinement of Mössbauer Spectrum in [Fe(1,2-C2B9H11)2]Cs | Marco, J.F. CSIC ORCID CVN ; Dávalos, J.Z. CSIC ORCID ; Hnyk, Drahomir; Holub, Josef; Oña, Ofelia B.; Alcoba, Diego R.; Ferrer, Maxime CSIC ORCID; Elguero, José CSIC ORCID; Lain, Luis; Torre, Alicia; Oliva, José M. CSIC ORCID | artículo |
