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		Derechos	Preview	Fecha Public.	Título	Autor(es)	Tipo
	1	closedAccess		2005	Structure of the products of condensation of hydroxylamine with trifluoromethyl-β-diketones: Assignments of the diastereotopic protons of the 4-methylene group in 5-hydroxy-5-trifluoromethyl-Δ2- isoxazolines	Sanz, D. ; Claramunt, Rosa M.; Singh, S. P.; Kumar, V.; Aggarwal, R.; Elguero, José CSIC ORCID; Alkorta, Ibon CSIC ORCID	artículo
	2	closedAccess		2005	Solid-state NMR study of the tautomerism of acetylacetone included in a host matrix	Claramunt, Rosa M.; López, Concepción; Lott, S.; Santa María, María Dolores; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID	artículo
	3	closedAccess		2005	The X-ray molecular structure of 1-(2′,4′-dinitrophenyl)-1,2,3-triazole and the problem of the orthogonal interaction between a 'Pyridine-Like' Nitrogen and a nitro group	Yap, G. P. A.; Jove, F. A.; Claramunt, Rosa M.; Sanz, David CSIC; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID	artículo
	4	closedAccess		2005	Study of the reaction of chalcone analogs of dehydroacetic acid and o-aminothiophenol: Synthesis and structure of 1,5-benzothiazepines and 1,4-benzothiazines	Prakash, O.; Kumar, A.; Sadana, A.; Prakash, R.; Singh, S. P.; Claramunt, Rosa M.; Sanz, D. ; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID	artículo
	5	closedAccess		2005	A theoretical study of multinuclear coupling constants in pyrazoles	Claramunt, Rosa M.; Sanz, D. ; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID	artículo
	6	closedAccess		2005	Theoretical study of HCN and HNC neutral and charged clusters	Sánchez, M.; Provasi, Patricio F.; Aucar, G. A.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID	artículo
	7	closedAccess		2005	Are resonance-assisted hydrogen bonds 'resonance assisted'? A theoretical NMR study	Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Mó, Otilia CSIC ORCID; Yáñez, M.; Bene, J. E. del	artículo
	8	closedAccess		2005	Theoretical study of 31P, 31P coupling constants in cyclotriphosphazenes	Fruchier, Alain; Vicente, V.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID	artículo
	9	closedAccess		2005	1H and 13C NMR studies of asymmetrically substituted bis- and tris-Tröger's bases	Elguero, José CSIC ORCID; Fruchier, Alain; Mas, T.; Pardo, C.	artículo
	10	closedAccess		2005	Polyynes vs. cumulenes: Their possible use as molecular wires	Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID	artículo
	11	closedAccess		2005	Theoretical estimation of the annular tautomerism of indazoles	Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID	artículo
	12	closedAccess		2005	Effect of HB complexation on the optical rotatory power of oxiranes	Zborowski, K. K.; Proniewicz, L. M.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID	artículo
	13	closedAccess		2005	A theoretical study of the influence of nitrogen angular constraints on the properties of amides: Rotation/inversion barriers and hydrogen bond accepting abilities of N-formylaziridine and -azirine	Alkorta, Ibon CSIC ORCID ; Cativiela, Carlos CSIC ORCID; Elguero, José CSIC ORCID; Gil, Ana M. CSIC; Jiménez, Ana I. CSIC ORCID	artículo
	14	closedAccess		ene-2005	The tautomerism of 1H-pyrazole-3(5)-(N-tert-butyl)carboxamide in the solid state and in solution	Claramunt, Rosa M.; García, Ángela; López, Concepción; Trofimenko, Swiatoslaw; Yap, Glenn P. A.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID	artículo
	15	closedAccess		2005	Microwave-assisted synthesis and dynamic behaviour of N2,N 4,N6-tris(1H-pyrazolyl)-1,3,5-triazine-2,4,6-triamines	Díaz-Ortiz, A.; Elguero, José CSIC ORCID; de la Hoz, A.; Jiménez, Agustín CSIC; Moreno, A.; Moreno, Sacramento CSIC; Sánchez-Migallón, A.	artículo
	16	closedAccess		2005	Barriers to the intramolecular N- to N-transfer of different groups in pyrazoles: Prototropy vs. elementotropy	Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID	artículo
	17	closedAccess		2005	Molecular recognition of biotin, barbital and tolbutamide with new synthetic receptors	Claramunt, Rosa M.; Herranz, Fernando CSIC ORCID CVN; Santa María, María Dolores; Pinilla, Elena; Torres, M. R.; Elguero, José CSIC ORCID	artículo
	18	closedAccess		2005	On the relationship between the preferred site of hydrogen bonding and protonation	Chan, Bun; Del Bene, Janet E.; Elguero, José CSIC ORCID; Radom, L.	artículo
	19	closedAccess		2005	Characterizing hydrogen bonding and proton transfer in 2:1 FH:NH 3 and FH:collidine complexes through one- and two-bond spin-spin coupling constants across hydrogen bonds	Del Bene, Janet E.; Elguero, José CSIC ORCID	artículo
	20	closedAccess		2005	Chiral recognition in cyclic α-hydroxy carbonyl compounds: A theoretical study	Alkorta, Ibon CSIC ORCID ; Picazo, O.; Elguero, José CSIC ORCID	artículo
	21	closedAccess		2005	Periodic trends in bond dissociation energies. A theoretical study	Mó, Otilia CSIC ORCID; Yañez, Manuel; Eckert-Maksic, M.; Maksic, Z. B.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID	artículo
	22	closedAccess		2005	Chiral recognition in phosphinic acid dimers	Picazo, O.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Mó, Otilia CSIC ORCID; Yáñez, Manuel	artículo
	23	closedAccess		2005	Ab initio study of the influence of trimer formation on one- And two-bond spin-spin coupling constants across an X-H-Y hydrogen bond: AH:XH:YH3 complexes for A, X =19F, 35Cl and Y =15N, 31P	Del Bene, Janet E.; Elguero, José CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Mó, Otilia CSIC ORCID; Yáñez, M.	artículo
	24	closedAccess		2005	Structural characterisation of 2,3-disubstituted pyrazines: NMR and X-ray crystallography	Farrán, M. Ángeles; Claramunt, Rosa M.; López, C.; Pinilla, Elena; Torres, M. R.; Elguero, José CSIC ORCID	artículo
	25	closedAccess		2005	A theoretical study on the tautomerism of C-carboxylic and methoxycarbonyl substituted azoles	Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID	artículo
	26	closedAccess		2005	Dimers of 1,8a-dihydro-1,8-naphthyridine derivatives as models of chiral self-recognition	Picazo, O.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID	artículo
	27	closedAccess		2005	Interaction energies and NMR indirect nuclear spin-spin coupling constants in linear HCN and HNC complexes	Provasi, Patricio F.; Aucar, G. A.; Sánchez, M.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Sauer, Stephan P. A.	artículo
	28	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 CSIC ORCID ; Ballesteros, R.; Blanco, Fernando CSIC; Chadlaoui, M.; Elguero, José CSIC ORCID; Mojarrad, F.	artículo
	29	closedAccess		2005	Effect of fluoro substituents and central atom nature on chiral derivatives of bisdiphenylborates and isoelectronic structures	Alkorta, Ibon CSIC ORCID ; Picazo, O.; Elguero, José CSIC ORCID	artículo
	30	closedAccess		2005	Ab initio study of complexes with two cations as N-H donors to F -: Structures and spin-spin coupling constants across N-H-F hydrogen bonds	Del Bene, Janet E.; Elguero, José CSIC ORCID	artículo
	31	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
	32	closedAccess		2005	Thermochemical properties of two benzimidazole derivatives: 2-Phenyl- and 2-benzylbenzimidazole	Ribeiro da Silva, Manuel A. V.; Ribeiro da Silva, Maria das Dores M. C.; Amaral, L. M. P. F.; Elguero, José CSIC ORCID; Jiménez Sierra, M. Pilar CSIC ; Roux, María Victoria CSIC ; Dávalos, J.Z. CSIC ORCID ; Temprado, Manuel CSIC ORCID; Cabildo, Pilar; Claramunt, Rosa M.; Mó, Otilia CSIC ORCID; Yañez, M.	artículo
	33	closedAccess		2005	Synthesis and spectroscopic properties of Schiff bases derived from 3-hydroxy-4-pyridinecarboxaldehyde	Sanz, D. ; Perona, Almudena CSIC ORCID CVN; Claramunt, Rosa M.; Elguero, José CSIC ORCID	artículo
	34	closedAccess		2005	Cooperativity and proton transfer in hydrogen-bonded triads	Mó, Otilia CSIC ORCID; Yáñez, Manuel; Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID	artículo
	35	closedAccess		2005	Chiral discrimination in lithium complexes of Bis(5H-pyrroles) and bis(oxazolines)	Alkorta, Ibon CSIC ORCID ; Picazo, O.; Elguero, José CSIC ORCID	artículo

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