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	Derechos	Fecha Public.	Título	Autor(es)	Tipo
1	openAccess	2021	3-Pyrazolines (2,3-dihydro-1H-pyrazoles): Synthesis, reactivity, and physical and biological properties	Hoz, Antonio de la; Claramunt, Rosa M.; Elguero, José CSIC ORCID; Alkorta, Ibon CSIC ORCID	artículo de revisión
2	openAccess	8-abr-2004	The behavior of 5H-dibenz[b,f]azepine dissolved in sulfuric acid	Dardonville, Christophe CSIC ORCID ; Jimeno, M. Luisa CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID	artículo
3	closedAccess	2018	The structure of fosfomycin salts in solution and in the solid state by nuclear magnetic resonance spectroscopy and DFT calculations	Pérez Torralba, Marta; Sanz, Dionisia CSIC; Claramunt, Rosa M.; Alkorta, Ibon CSIC ORCID ; Dardonville, Christophe CSIC ORCID ; Elguero, José CSIC ORCID	artículo
4	closedAccess	2020	Theoretical studies of perimidine and its derivatives: structures, energies, and spectra	Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID	artículo
5	openAccess	2019	Relativistic effects on NMR parameters of halogen-bonded complexes	Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Yañez, Manuel; Mó, Otilia CSIC ORCID; Montero-Campillo, M. Merced CSIC ORCID	artículo
6	openAccess	2016	A theoretical study of the structure of 6,6-dimethyl-7-nitroso-4,5,6, 7-tetrahydro-1H-pyrazolo[3,4-b]pyridine	Echevarría, A; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID	artículo
7	closedAccess	2012	A theoretical study of the parent NH-benzazoles (benzimidazoles, indazoles and benzotriazoles): Geometries, energies, acidity and basicity, NMR properties and molecular electrostatic potentials	Alkorta, Ibon CSIC ORCID ; Sánchez-Sanz, Goar CSIC ORCID; Trujillo, Cristina CSIC ORCID; Elguero, José CSIC ORCID; Claramunt, Rosa M.	artículo
8	closedAccess	2018	The structure of four thallium tris(1H-pyrazol-1-yl)hydroborates in the solid state by X-ray crystallography and in solution by NMR and DFT-GIAO calculations	Infantes, L. CSIC ORCID; Moreno, José M.; Claramunt, Rosa M.; Sanz, Dionisia CSIC; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID	artículo
9	openAccess	2019	The structure of the anti-aging agent J147 used for treating Alzheimer’s disease	Clarkson, G. D.; Farrán, M. Ángeles; Claramunt, Rosa M.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID	artículo
10	openAccess	2021	DD04107-Derived neuronal exocytosis inhibitor peptides: Evidences for synaptotagmin-1 as a putative target	Butrón, Daniel; Zamora-Carreras, H.; Devesa, Isabel; Treviño, Miguel A. CSIC ORCID; Abian, Olga CSIC ORCID; Velázquez-Campoy, Adrián; Bonache de Marcos, María Ángeles CSIC ORCID ; Lagartera, Laura CSIC ORCID; Martín-Martínez, Mercedes CSIC ORCID; González-Rodríguez, Sara; Baamonde, Ana; Fernández-Carvajal, Asia; Ferrer-Montiel, Antonio CSIC ORCID; Jiménez, M. Angeles CSIC ORCID ; González-Muñiz, Rosario CSIC ORCID	artículo
11	closedAccess	2021	The mechanism of the reaction of hydrazines with α,β-unsaturated carbonyl compounds to afford hydrazones and 2-pyrazolines (4,5-dihydro-1H-pyrazoles): Experimental and theoretical results	Hoz, Antonio de la; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID	artículo
12	openAccess	2014	De novo designed library of linear helical peptides: An exploratory tool in the discovery of protein-protein interaction modulators	Bonache de Marcos, María Ángeles CSIC ORCID ; Balsera, Beatriz CSIC; López-Méndez, Blanca CSIC; Millet, Oscar; Brancaccio, Diego; Gómez-Monterrey, Isabel CSIC; Carotenuto, Alfonso; Pavone, Luigi Michele; Reille-Seroussi, Marie; Gagey-Eilstein, Nathalie; Vidal, Michel; Torre-Martínez, Roberto de la; Fernández-Carvajal, Asia; Ferrer-Montiel, Antonio CSIC ORCID; García-López, M. Teresa CSIC ; Martín-Martínez, Mercedes CSIC ORCID; Pérez de Vega, M. Jesús CSIC ORCID; González-Muñiz, Rosario CSIC ORCID	artículo
13	closedAccess	2017	Curcumin Related 1,4_Diazepines: Regioselective Synthesis, Structure Analysis, Tautomerism, NMR Spectroscopy, X¿ray Crystallography, Density Functional Theory and GIAO Calculations	Nieto, Carla I.; Andrade, A.; Sanz, Dionisia CSIC; Claramunt, Rosa M.; Torralba, M. Carmen; Torres, R.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID	artículo
14	closedAccess	2017	Is it possible to use the 31P chemical shifts of phosphines to measure hydrogen bond acidities (HBA)? A comparative study with the use of the 15N chemical shifts of amines for measuring HBA	Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID	artículo
15	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
16	closedAccess	2013	The structures of two aldazines: [1,1′-(1E,1′E)- hydrazine-1,2-diylidenebis(methan-1-yl-1- ylidene)dinaphthalen-2-ol] (Lumogen) and 2,2′- (1E,1′E)-hydrazine-1,2-diylidenebis(methan-1- yl-1-ylidene)diphenol (salicylaldazine) in the solid state and in solution	Silva, Artur M. S.; Silva, Vera L. M.; Claramunt, Rosa M.; Santa María, Dolores; Ferraro, Marta B.; Reviriego, Felipe CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID	artículo
17	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
18	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
19	closedAccess	2003	The structure of the agrochemical fungicidal 4-chloro-3- (3,5-dichlorophenyl)-1H-pyrazole (RPA 406194) and related compounds	Vors, Jean-Pierre; Gerbaud, Vincent; Gabàs, Nadine; Canselier, Jean Paul; Jagerovic, Nadine CSIC ORCID ; Jimeno, M. Luisa CSIC ORCID; Elguero, José CSIC ORCID	artículo
20	closedAccess	2019	Theoretical calculations of the chemical shifts of cyclo[n]phosphazenes for n = 2, 3, 4 and 5 (X2PN)n with X = CH3, F, Cl and Br: the effect of relativistic corrections	Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID	artículo