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DerechosPreviewFecha Public.TítuloAutor(es)Tipo
closedAccess1994Imidazole and benzimidazole addition to quinones. Formation of meso and d,l isomers and crystal structure of the d,l isomer of 2,3-Bis(benzimidazol-1'-yl)-1,4-dihydroxybenzeneEscolástico, Consuelo; Santa María, María Dolores; Claramunt, Rosa M.; Jimeno, M. Luisa CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Foces-Foces, Concepción CSIC; Cano, Félix H.; Elguero, José CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2012Influence of hydrogen bonds on the P⋯P pnicogen bondAlkorta, Ibon CSIC ORCID ; Sánchez-Sanz, Goar CSIC ORCID; Elguero, José CSIC ORCID; Bene, J. E. delartículo
openAccessTheoretical Chemistry Accounts.pdf.jpg2023Influence of Lewis acids on the symmetric SN2 reactionIribarren, I.; Trujillo, Cristina CSIC ORCID; Sánchez-Sanz, Goar CSIC ORCID; Hénon, E.; Elguero, José CSIC ORCID; Alkorta, Ibon CSIC ORCID artículo
closedAccessaccesoRestringido.pdf.jpg2014Influence of substituent effects on the formation of P⋯Cl pnicogen bonds or halogen bondsDel Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2010Influence of the basis set on the calculation of the absolute 13C shieldings of methyl derivatives (CH3X with X = CH3, CN, NH2, NO2, OH, F) with special emphasis in the cases of X = Cl, Br, SH, SeH, and PH2Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCIDartículo
openAccessijms-21-08036-v2.pdf.jpg2020Interaction between Trinuclear Regium Complexes of Pyrazolate and Anions, a Computational StudyAlkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Trujillo, Cristina CSIC ORCID; Sánchez-Sanz, Goar CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2005Interaction energies and NMR indirect nuclear spin-spin coupling constants in linear HCN and HNC complexesProvasi, Patricio F.; Aucar, G. A.; Sánchez, M.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Sauer, Stephan P. A.artículo
closedAccessaccesoRestringido.pdf.jpg2016Interaction of beryllium derivatives with N-methylated DNA bases: 9-methylguanine and 1-methylcytosineMarín-Luna, Marta CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2019Interaction of N-Heterocyclic Carbenes and Simple Carbenes with Small Molecules (One to Three Atoms) Excluding Metals: Formation of Covalent C–X BondsAlkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2008Interaction of positively and negatively charged aromatic hydrocarbons with benzene and triphenylene: Towards a model of pure organic insulatorsQuiñonero, D.; Frontera, Antonio; Deyà, P. M.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2013Intermolecular spin-spin coupling constants between 31P atomsSanz, David CSIC; Claramunt, Rosa M.; Mathey, F.; Alkorta, Ibon CSIC ORCID ; Sánchez-Sanz, Goar CSIC ORCID; Elguero, José CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2012Intermolecular weak interactions in HTeXH dimers (X=O, S, Se, Te): Hydrogen bonds, chalcogen-chalcogen contacts and chiral discriminationSánchez-Sanz, Goar CSIC ORCID; Trujillo, Cristina CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCIDartículo
openAccessmolecules-20-09961.pdf.jpg2015Interplay between beryllium bonds and anion-π interactions in BeR<inf>2</inf>:C<inf>6</inf>X<inf>6</inf>:Y. Complexes (R = H, F and Cl, X = H and F, and y = Cl and Br)Marín-Luna, Marta CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Mó, Otilia CSIC ORCID; Yáñez, Manuelartículo
closedAccessaccesoRestringido.pdf.jpg2012Interplay of F-H ...F hydrogen bonds and P ...N pnicogen bondsDel Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Sánchez-Sanz, Goar CSIC ORCID; Elguero, José CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2018Intramolecular magnesium bonds in malonaldehyde-like systems: a critical view of the resonance-assisted phenomenaSanz, Pablo; Montero-Campillo, M. Merced CSIC ORCID; Mó, Otilia CSIC ORCID; Yáñez, Manuel; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2013Intramolecular pnicogen interactions in PHF-(CH2) n-PHF (n=2-6) systemsSánchez-Sanz, Goar CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Trujillo, Cristina CSIC ORCID; Elguero, José CSIC ORCIDartículo
closedAccessPhys.Chem.Chem.Phys. (2014).pdf.jpg2014Intramolecular pnicogen interactions in phosphorus and arsenic analogues of proton spongesSánchez-Sanz, Goar CSIC ORCID; Trujillo, Cristina CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2008Inverse hydrogen bonds between XeH2 and hydride and fluoride derivatives of Li, Be, Na and MgBlanco, Fernando CSIC; Solimannejad, Mohammad; Elguero, José CSIC ORCIDartículo
openAccessMolecular physics.pdf.jpg2021IR and NMR properties of N-base:PH2F:BeX2 ternary and corresponding binary complexes stabilised by pnicogen and beryllium bondsDel Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2017Is it possible to use the 31P chemical shifts of phosphines to measure hydrogen bond acidities (HBA)? A comparative study with the use of the 15N chemical shifts of amines for measuring HBAAlkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCIDartículo