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Browsing by Author Elguero, José

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RightsIssue DateTitleAuthor(s)
closedAccess2008[1,2,3]Triazolo[1,5-a]pyridines. A theoretical (DFT) study of the ring-chain isomerizationBlanco, Fernando; Alkorta, Ibon; Elguero, José; Cruz, V.; Abarca, B.; Ballesteros, R.
closedAccess20031,2,4,5-Tetrazines vs. carboxylic acid dimers: Molecular chemistry vs. supramolecular chemistryInfantes, Lourdes; Mahon, Mary F.; Male, L.; Raithby, Paul R.; Teat, Simon J.; Sauer, J.; Jagerovic, Nadine; Elguero, José; Motherwell, Sam
closedAccess200813C and 15N NMR chemical shifts of 1-(2′,4′-dinitrophenyl) and 1-(2′,4′,6′- trinitrophenyl) pyrazoles in the solid state and in solutionGarcía, M. A.; Claramunt, Rosa M.; Elguero, José
closedAccess200113C and 15N NMR shieldings of 1,2,4-diazaphospholes in the solid state and in solutionClaramunt, Rosa María; López, Cristóbal; Schmidpeter, A.; Willhalm, A.; Elguero, José; Alkorta, Ibon
closedAccess200913C and 15N NMR spectra of aminobenzimidazoles in solution and in the solid stateGarcía, M. A.; Claramunt, Rosa M.; Solcan, T.; Milata, V.; Alkorta, Ibon; Elguero, José
closedAccess201015N-15N spin-spin coupling constants through intermolecular hydrogen bonds in the solid stateClaramunt, Rosa M.; Pérez-Torralba, M.; María, D.S; Sanz, D.; Elena, B.; Alkorta, Ibon; Elguero, José
closedAccess200819F-19F and 19F-1H spin-spin coupling constants in cyclic FH polymers (FH)n, n=2-6Del Bene, Janet E.; Elguero, José
closedAccess20051H and 13C NMR studies of asymmetrically substituted bis- and tris-Tröger's basesElguero, José; Fruchier, Alain; Mas, T.; Pardo, C.
openAccess20053-(2-Pyridyl)-[1,2,3]triazolo[1,5-a]pyridines. An experimental and theoretical (DFT) study of the ring-chain isomerizationAbarca, B.; Alkorta, Ibon; Ballesteros, R.,; Blanco, F.; Chadlaoui, M.; Elguero, José; Mojarrad, F.
closedAccess20093-(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; Elguero, José
closedAccess201131P-31P spin-spin coupling constants for pnicogen homodimersDel Bene, Janet E.; Alkorta, Ibon; Sánchez-Sanz, Goar; Elguero, José
closedAccess2011A 13C and 15N experimental NMR and theoretical study of the structure of linear primary aliphatic amines and ammonium salts: From C1 to C18Sanz, D.; Claramunt, Rosa M.; García, M. A.; Alkorta, Ibon; Elguero, José
closedAccess2007A 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
closedAccess2008A computational study of dimers and trimers of hypohalous acidsSolimannejad, Mohammad; Alkorta, Ibon; Elguero, José
closedAccess2011A computational study of the conformation of heterocyclic systems related to biphenylAlkorta, Ibon; Elguero, José
closedAccess2009A computational study of the cooperativity in clusters of interhalogen derivativesAlkorta, Ibon; Blanco, F.; Elguero, José
closedAccess2008A computational study of the effect of C-lithiation on the NMR properties (chemical shifts and coupling constants) of aziridinesCapriati, V.; Florio, S.; Luisi, R.; Musio, B.; Alkorta, Ibon; Blanco, Fernando; Elguero, José
closedAccess2008A computational study of2 JHH(gem) indirect spin-spin coupling constants in simple hydrides of the second and third periodsAlkorta, Ibon; Provasi, Patricio F.; Aucar, G. A.; Elguero, José
closedAccess2014A computational study on 3-azonia-,3-phosphonia-, and 3-arsoniaspiro [2.2] pentanes and related three-membered heterocyclesTrujillo, Cristina; Sánchez-Sanz, Goar; Alkorta, Ibon; Elguero, José
closedAccess2009A DFT and AIM analysis of the spin -spin couplings across the hydrogen bond in the 2-fluorobenzamide and related compoundsAlkorta, Ibon; Elguero, José; Limbach, H. -H.; Shenderovich, I. G.; Winkler, T.