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Rights | Preview | Issue Date | Title | Author(s) | Type |
closedAccess |  | 2008 | [1,2,3]Triazolo[1,5-a]pyridines. A theoretical (DFT) study of the ring-chain isomerization | Blanco, Fernando; Alkorta, Ibon ; Elguero, José ; Cruz, Víctor L. ; Abarca, B.; Ballesteros, R. | artículo |
openAccess |  | 9-Oct-2003 | 1,2-4 triazole derivates with cannabinoid properties. | Jagerovic, Nadine ; Goya, Pilar ; Hernández Folgado, Laura; Alkorta, Ibon  | patente |
openAccess |  | 2001 | 13C and 15N NMR shieldings of 1,2,4-diazaphospholes in the solid state and in solution | Claramunt, Rosa M.; López, Concepción; Schmidpeter, A.; Willhalm, A.; Elguero, José ; Alkorta, Ibon  | artículo |
closedAccess |  | 2009 | 13C and 15N NMR spectra of aminobenzimidazoles in solution and in the solid state | García, M. A.; Claramunt, Rosa M.; Solcan, T.; Milata, V.; Alkorta, Ibon ; Elguero, José  | artículo |
closedAccess |  | 2010 | 15N-15N spin-spin coupling constants through intermolecular hydrogen bonds in the solid state | Claramunt, Rosa M.; Pérez-Torralba, M.; María, D.S; Sanz, D. ; Elena, B.; Alkorta, Ibon ; Elguero, José  | artículo |
openAccess |  | 2017 | 19F-NMR Diastereotopic Signals in Two N-CHF2 Derivatives of (4S, 7R)-7, 8, 8-Trimethyl-4, 5, 6, 7-tetrahydro-4, 7-methano-2H-indazole | García-Pérez, Diana; López, Cocepción; Claramunt, Rosa M.; Alkorta, Ibon ; Elguero, José  | artículo |
openAccess |  | 2005 | 3-(2-Pyridyl)-[1,2,3]triazolo[1,5-a]pyridines. An experimental and theoretical (DFT) study of the ring-chain isomerization | Abarca, B.; Alkorta, Ibon ; Ballesteros, R.; Blanco, F.; Chadlaoui, M.; Elguero, José ; Mojarrad, F. | artículo |
closedAccess |  | 2009 | 3-(pyridin-2-yl)[l,2,3]triazolo[l,5-a]quinoline: A theoretical and experimental analysis of ring-chain isomerisation | Ballesteros-Garrido, R.; Blanco, F.; Ballesteros, R.; Leroux, Frédérc R.; Abarca, B.; Colobert, François; Alkorta, Ibon ; Elguero, José  | artículo |
closedAccess |  | 2011 | 31P-31P spin-spin coupling constants for pnicogen homodimers | Del Bene, Janet E.; Alkorta, Ibon ; Sánchez-Sanz, Goar; Elguero, José  | artículo |
closedAccess |  | 2011 | A 13C and 15N experimental NMR and theoretical study of the structure of linear primary aliphatic amines and ammonium salts: From C1 to C18 | Sanz, D. ; Claramunt, Rosa M.; García, M. A.; Alkorta, Ibon ; Elguero, José  | artículo |
closedAccess |  | 2019 | A chalcogen-bonded complex H 3 NS=C=S formed by ammonia and carbon disulfide characterised by chirped-pulse, broadband microwave spectroscopy | Gougoula, E.; Medcraft, C; Alkorta, Ibon ; Walker, N. R.; Legon, A. C. | artículo |
closedAccess |  | 2007 | A comparative ab initio study of SF6⋯X- and CF4⋯X- complexes (X = H, F, Cl, CN, NC, N3 and NCO) | Solimannejad, Mohammad; Alkorta, Ibon ; Elguero, José  | artículo |
closedAccess |  | 2016 | A computational study of azaphospholes: anions and neutral tautomers | Alkorta, Ibon ; Elguero, José  | artículo |
closedAccess |  | 2008 | A computational study of dimers and trimers of hypohalous acids | Solimannejad, Mohammad; Alkorta, Ibon ; Elguero, José  | artículo |
closedAccess |  | 2009 | A computational study of dimers and trimers of nitrosyl hydride: Blue shift of NH bonds that are involved in H-bond and orthogonal interactions | Solimannejad, Mohammad; Massahi, S.; Alkorta, Ibon  | artículo |
openAccess |  | 2020 | A Computational Study of Metallacycles Formed by Pyrazolate Ligands and the Coinage Metals M = Cu(I), Ag(I) and Au(I): (pzM)n for n = 2, 3, 4, 5 and 6. Comparison with Structures Reported in the Cambridge Crystallographic Data Center (CCDC) | Elguero, José ; Alkorta, Ibon  | artículo |
closedAccess |  | 2011 | A computational study of the conformation of heterocyclic systems related to biphenyl | Alkorta, Ibon ; Elguero, José  | artículo |
closedAccess |  | 2009 | A computational study of the cooperativity in clusters of interhalogen derivatives | Alkorta, Ibon ; Blanco, F.; Elguero, José  | artículo |
closedAccess |  | 2008 | A computational study of the effect of C-lithiation on the NMR properties (chemical shifts and coupling constants) of aziridines | Capriati, V.; Florio, S.; Luisi, R.; Musio, B.; Alkorta, Ibon ; Blanco, Fernando; Elguero, José  | artículo |
closedAccess |  | 2010 | A computational study of the potential energy surface of peroxyformic acid dimers | Solimannejad, Mohammad; Shahbazi, Farzin; Alkorta, Ibon  | artículo |