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closedAccessaccesoRestringido.pdf.jpg2008[1,2,3]Triazolo[1,5-a]pyridines. A theoretical (DFT) study of the ring-chain isomerizationBlanco, Fernando; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Cruz, Víctor L. CSIC ORCID; Abarca, B.; Ballesteros, R.artículo
openAccessWO03082833A1.pdf.jpg9-Oct-20031,2-4 triazole derivates with cannabinoid properties.Jagerovic, Nadine CSIC ORCID ; Goya, Pilar CSIC ORCID; Hernández Folgado, Laura; Alkorta, Ibon CSIC ORCID patente
openAccesssolid_state_Claramunt.pdf.jpg200113C and 15N NMR shieldings of 1,2,4-diazaphospholes in the solid state and in solutionClaramunt, Rosa M.; López, Concepción; Schmidpeter, A.; Willhalm, A.; Elguero, José CSIC ORCID; Alkorta, Ibon CSIC ORCID artículo
closedAccessaccesoRestringido.pdf.jpg200913C and 15N NMR spectra of aminobenzimidazoles in solution and in the solid stateGarcía, M. A.; Claramunt, Rosa M.; Solcan, T.; Milata, V.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg201015N-15N spin-spin coupling constants through intermolecular hydrogen bonds in the solid stateClaramunt, Rosa M.; Pérez-Torralba, M.; María, D.S; Sanz, D. CSIC ; Elena, B.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCIDartículo
openAccessmolecules-22-02003-v2.pdf.jpg201719F-NMR Diastereotopic Signals in Two N-CHF2 Derivatives of (4S, 7R)-7, 8, 8-Trimethyl-4, 5, 6, 7-tetrahydro-4, 7-methano-2H-indazoleGarcía-Pérez, Diana; López, Cocepción; Claramunt, Rosa M.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCIDartículo
openAccessOrganic and Biomolecular Chemistry.pdf.jpg20053-(2-Pyridyl)-[1,2,3]triazolo[1,5-a]pyridines. An experimental and theoretical (DFT) study of the ring-chain isomerizationAbarca, B.; Alkorta, Ibon CSIC ORCID ; Ballesteros, R.; Blanco, F.; Chadlaoui, M.; Elguero, José CSIC ORCID; Mojarrad, F.artículo
closedAccessaccesoRestringido.pdf.jpg20093-(pyridin-2-yl)[l,2,3]triazolo[l,5-a]quinoline: A theoretical and experimental analysis of ring-chain isomerisationBallesteros-Garrido, R.; Blanco, F.; Ballesteros, R.; Leroux, Frédérc R.; Abarca, B.; Colobert, François; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg201131P-31P spin-spin coupling constants for pnicogen homodimersDel Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Sánchez-Sanz, Goar; Elguero, José CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2011A 13C and 15N experimental NMR and theoretical study of the structure of linear primary aliphatic amines and ammonium salts: From C1 to C18Sanz, D. CSIC ; Claramunt, Rosa M.; García, M. A.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2021A 13C chemical shifts study of iodopyrazoles: experimental results and relativistic and non-relativistic calculationsAlkorta, Ibon CSIC ORCID ; Claramunt, Rosa M.; Sanz, Dionisia; Elguero, José CSIC ORCID; Holzer, W.artículo
closedAccessaccesoRestringido.pdf.jpg2020A C(π-hole)⋯Cl-Zn tetrel interaction driving a metal-organic supramolecular assemblyRamírez de Arellano, Carmen; Adam, Rosa; Ballesteros-Garrido, R.; Abarca, Belén; Ballesteros, Rafael; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Escrivá, Emilioartículo
closedAccessaccesoRestringido.pdf.jpg2019A chalcogen-bonded complex H 3 NS=C=S formed by ammonia and carbon disulfide characterised by chirped-pulse, broadband microwave spectroscopyGougoula, E.; Medcraft, C; Alkorta, Ibon CSIC ORCID ; Walker, N. R.; Legon, A. C.artículo
closedAccessaccesoRestringido.pdf.jpg2007A comparative ab initio study of SF6⋯X- and CF4⋯X- complexes (X = H, F, Cl, CN, NC, N3 and NCO)Solimannejad, Mohammad; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2016A computational study of azaphospholes: anions and neutral tautomersAlkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2008A computational study of dimers and trimers of hypohalous acidsSolimannejad, Mohammad; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2009A computational study of dimers and trimers of nitrosyl hydride: Blue shift of NH bonds that are involved in H-bond and orthogonal interactionsSolimannejad, Mohammad; Massahi, S.; Alkorta, Ibon CSIC ORCID artículo
openAccessmolecules-25-05108.pdf.jpg2020A 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 CSIC ORCID; Alkorta, Ibon CSIC ORCID artículo
closedAccessaccesoRestringido.pdf.jpg2011A computational study of the conformation of heterocyclic systems related to biphenylAlkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2009A computational study of the cooperativity in clusters of interhalogen derivativesAlkorta, Ibon CSIC ORCID ; Blanco, F.; Elguero, José CSIC ORCIDartículo