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| Derechos | Preview | Fecha Public. | Título | Autor(es) | Tipo |
| closedAccess |  | 2016 | A 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}boron | Jimeno, M. Luisa CSIC ORCID; Benito, Maria Teresa CSIC ORCID; Doyagüez, Elisa G. CSIC; Claramunt, Rosa M.; Sanz, Dionisia CSIC; Marín-Luna, Marta CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| closedAccess |  | 2015 | A theoretical and experimental NMR study of the prototropic tautomerism of tris(tetrabutylammonium)hydrogen pyrophosphate salt in solution and in the solid-state | Sanz, Dionisia CSIC; Claramunt, Rosa M.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| closedAccess |  | 2008 | A theoretical and experimental NMR study of the tautomerism of two phenylene-bis-C-substituted pyrazoles | Sanz, David CSIC; Claramunt, Rosa M.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Thiel, W.R.; Rüffer, T. | artículo |
| closedAccess |  | 2007 | A theoretical and experimental study of the fluxional behaviour of molybdenum dihydrobis- and hydrotris-pyrazolylborates | Santa María, María Dolores; Claramunt, Rosa M.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| closedAccess | | 2001 | A theoretical and experimental study of the interaction of C6F6 with electron donors | Alkorta, Ibon CSIC ORCID ; Rozas, Isabel; Jimeno, M. Luisa CSIC ORCID; Elguero, José CSIC ORCID | artículo |
| closedAccess |  | 2015 | A theoretical and experimental study of the NMR spectra of 4,5,6,7-tetrafluorobenzazoles with special stress on PCM calculations of chemical shifts | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Pérez-Torralba, Marta; López, Concepción; Claramunt, Rosa M. | artículo |
| closedAccess |  | 2014 | A theoretical and experimental study of the racemization process of hexaaza[5]helicenes | Abarca, B.; Ballesteros, R.; Adam, Rosa; Ballesteros-Garrido, R.; Leroux, Frédérc R.; Colobert, François; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| closedAccess |  | 2009 | A theoretical and NMR experimental study of N1,N3-di(3-aminoacridin-6-yl)-isophthalamide and N2,N6-di(3-aminoacridin-6-yl)-2,6-dicarboxamide | Benchabane, Y.; Boyer, G.; Humbel, S.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| closedAccess |  | 2020 | A theoretical and spectroscopic (NMR and IR) study of indirubin in solution and in the solid state | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Dardonville, Christophe CSIC ORCID ; Reviriego, Felipe CSIC ORCID; Santa María, D.; Claramunt, Rosa M.; Marín-Luna, Marta CSIC ORCID | artículo |
| closedAccess |  | 2010 | A theoretical comparison of the chemical shifts of three related heterocycles: 1H-pyrazoles, 1H-1,2,4-triazoles and 1H-1,2,4-diazaphospholes | Alkorta, Ibon CSIC ORCID ; Blanco, Fernando CSIC; Elguero, José CSIC ORCID | artículo |
| closedAccess |  | 2005 | A theoretical investigation of N-H⋯OP hydrogen bonds through 15N-31P and 1H-31P coupling constants | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Del Bene, Janet E. | artículo |
| closedAccess |  | 2013 | A theoretical investigation of the mechanism of formation of a simplified analog of the green fluorescent protein (GFP) from a peptide model | Trujillo, Cristina CSIC ORCID; Sánchez-Sanz, Goar CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| closedAccess |  | 2010 | A theoretical multinuclear NMR study of pyrazolylborates | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Claramunt, Rosa M.; López, Concepción; Sanz, D. | artículo |
| closedAccess |  | 2010 | A theoretical NMR study of ortho and para-substituted benzenes compared with silabenzenes, pyridines and phosphabenzenes | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| closedAccess |  | 2019 | A theoretical NMR study of polymorphism in crystal structures of azoles and benzazoles | Marín-Luna, Marta CSIC ORCID; Claramunt, Rosa M.; Nieto, Carla I.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Reviriego, Felipe CSIC ORCID | artículo |
| closedAccess |  | 2018 | A theoretical NMR study of selected benzazoles: Comparison of GIPAW and GIAO-PCM (DMSO) calculations | Marín-Luna, Marta CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| closedAccess |  | 2012 | A theoretical NMR study of the structure of benzynes and some of their carbocyclic and heterocyclic analogs | Sánchez-Sanz, Goar CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Trujillo, Cristina CSIC ORCID; Elguero, José CSIC ORCID | artículo |
| closedAccess |  | 2012 | A theoretical reappraisal of the cyclol hypothesis | Alkorta, Ibon CSIC ORCID ; Sánchez-Sanz, Goar CSIC ORCID; Trujillo, Cristina CSIC ORCID; Azofra, Luis Miguel CSIC ORCID; Elguero, José CSIC ORCID | artículo |
| closedAccess |  | 2009 | A theoretical structural analysis of the factors that affect 1JNH, 1hJNH and2hJ NN in N-H⋯N hydrogen-bonded complexes | Alkorta, Ibon CSIC ORCID ; Blanco, Fernando CSIC; Elguero, José CSIC ORCID | artículo |
| closedAccess |  | 2007 | A theoretical study of chiral recognition in bis[amino(phenyl)methanol] chromium(0) complexes | Zborowski, K. K.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
