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Browsing by Author Elguero, José

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closedAccessaccesoRestringido.pdf.jpg2010A theoretical analysis of the conformational space of tris(2-methylbenzimidazol-1-yl)methaneAlkorta, Ibon ; Elguero, José Artículo
closedAccessaccesoRestringido.pdf.jpg2009A theoretical and experimental NMR study of (+)-biotin methyl esterSan María, D.; Claramunt, Rosa M.; Herranz, Fernando ; Alkorta, Ibon ; Elguero, José Artículo
closedAccessaccesoRestringido.pdf.jpg2016A theoretical and experimental NMR study of BODIPY 493/503: difluoro{2-[1-(3,5-dimethyl-2H-pyrrol-2-ylidene-N)ethyl]-3,5-dimethyl-1H-pyrrolato-N}boronJimeno, M. Luisa; Benito, Maria Teresa; García Doyagüez, Elisa; Claramunt, Rosa M.; Sanz, Dionisia; Marín-Luna, Marta; Alkorta, Ibon ; Elguero, José Artículo
closedAccessaccesoRestringido.pdf.jpg2015A theoretical and experimental NMR study of the prototropic tautomerism of tris(tetrabutylammonium)hydrogen pyrophosphate salt in solution and in the solid-stateSanz, Dionisia; Claramunt, Rosa M.; Alkorta, Ibon ; Elguero, José Artículo
closedAccessaccesoRestringido.pdf.jpg2008A theoretical and experimental NMR study of the tautomerism of two phenylene-bis-C-substituted pyrazolesSanz, David; Claramunt, Rosa M.; Alkorta, Ibon ; Elguero, José ; Thiel, W.R.; Rüffer, T.Artículo
closedAccessaccesoRestringido.pdf.jpg2007A theoretical and experimental study of the fluxional behaviour of molybdenum dihydrobis- and hydrotris-pyrazolylboratesSanta Maria, M. D.; Claramunt, Rosa M.; Alkorta, Ibon ; Elguero, José Artículo
closedAccess2001A theoretical and experimental study of the interaction of C6F6 with electron donorsAlkorta, Ibon ; Rozas, Isabel; Jimeno, M. Luisa; Elguero, José Artículo
closedAccessaccesoRestringido.pdf.jpg2015A theoretical and experimental study of the NMR spectra of 4,5,6,7-tetrafluorobenzazoles with special stress on PCM calculations of chemical shiftsAlkorta, Ibon ; Elguero, José ; Pérez-Torralba, Marta; López, Concepción; Claramunt, Rosa M.Artículo
closedAccessaccesoRestringido.pdf.jpg2014A theoretical and experimental study of the racemization process of hexaaza[5]helicenesAbarca, B.; Ballesteros, R.; Adam, Rosa; Ballesteros-Garrido, R.; Leroux, Frédérc R.; Colobert, François; Alkorta, Ibon ; Elguero, José Artículo
closedAccessaccesoRestringido.pdf.jpg2009A theoretical and NMR experimental study of N1,N3-di(3-aminoacridin-6-yl)-isophthalamide and N2,N6-di(3-aminoacridin-6-yl)-2,6-dicarboxamideBenchabane, Y.; Boyer, G.; Humbel, S.; Alkorta, Ibon ; Elguero, José Artículo
closedAccessaccesoRestringido.pdf.jpg2010A theoretical comparison of the chemical shifts of three related heterocycles: 1H-pyrazoles, 1H-1,2,4-triazoles and 1H-1,2,4-diazaphospholesAlkorta, Ibon ; Blanco, F.; Elguero, José Artículo
closedAccessaccesoRestringido.pdf.jpg2005A theoretical investigation of N-H⋯OP hydrogen bonds through 15N-31P and 1H-31P coupling constantsAlkorta, Ibon ; Elguero, José ; Del Bene, Janet E.Artículo
closedAccessaccesoRestringido.pdf.jpg2013A theoretical investigation of the mechanism of formation of a simplified analog of the green fluorescent protein (GFP) from a peptide modelTrujillo, C.; Sánchez-Sanchez, Goar; Alkorta, Ibon ; Elguero, José Artículo
closedAccessaccesoRestringido.pdf.jpg2010A theoretical multinuclear NMR study of pyrazolylboratesAlkorta, Ibon ; Elguero, José ; Claramunt, Rosa M.; López, Concepción; Sanz, D.Artículo
closedAccessaccesoRestringido.pdf.jpg2010A theoretical NMR study of ortho and para-substituted benzenes compared with silabenzenes, pyridines and phosphabenzenesAlkorta, Ibon ; Elguero, José Artículo
closedAccessaccesoRestringido.pdf.jpg2018A theoretical NMR study of selected benzazoles: Comparison of GIPAW and GIAO-PCM (DMSO) calculationsMarín-Luna, Marta; Alkorta, Ibon ; Elguero, José Artículo
closedAccessaccesoRestringido.pdf.jpg2012A theoretical NMR study of the structure of benzynes and some of their carbocyclic and heterocyclic analogsSánchez-Sanz, G.; Alkorta, Ibon ; Trujillo, C.; Elguero, José Artículo
closedAccessaccesoRestringido.pdf.jpg2012A theoretical reappraisal of the cyclol hypothesisAlkorta, Ibon ; Sánchez-Sanz, G.; Trujillo, C.; Azofra, Luis Miguel; Elguero, José Artículo
closedAccessaccesoRestringido.pdf.jpg2009A theoretical structural analysis of the factors that affect 1JNH, 1hJNH and2hJ NN in N-H⋯N hydrogen-bonded complexesAlkorta, Ibon ; Blanco, F.; Elguero, José Artículo
closedAccessaccesoRestringido.pdf.jpg2007A theoretical study of chiral recognition in bis[amino(phenyl)methanol] chromium(0) complexesZborowski, K. K.; Alkorta, Ibon ; Elguero, José Artículo