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| | Derechos | Preview | Fecha Public. | Título | Autor(es) | Tipo |
| 1 | closedAccess |  | 2015 | Theoretical study of cyanophosphines: Pnicogen vs. dipole-dipole interactions | Sánchez-Sanz, Goar CSIC ORCID; Trujillo, Cristina CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 2 | closedAccess |  | 2014 | Ramsey terms for two-, three-, and four-bond coupling involving 15N and 17O in hydrogen-bonded and nonhydrogen-bonded systems: Are coupling constants sensitive to RAHBs? | Elguero, José CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Del Bene, Janet E. | artículo |
| 3 | closedAccess |  | 2012 | A theoretical NMR study of the structure of benzynes and some of their carbocyclic and heterocyclic analogs | Sánchez-Sanz, Goar CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Trujillo, Cristina CSIC ORCID; Elguero, José CSIC ORCID | artículo |
| 4 | closedAccess |  | 2014 | Discovery of anion-π interactions in the recognition mechanism of inorganic anions by 1,2,3-triazolium rings | Caballero, A. CSIC ORCID; Zapata, Fabiola; Gonzalez, L.; Molina, P.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 5 | closedAccess |  | 2015 | Adding only one priority rule allows extending CIP rules to supramolecular systems | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Cintas, Pedro | artículo |
| 6 | closedAccess |  | 2018 | From diiodo Tröger's bases towards halogen-bonded porous organic crystalline materials | González, Lucía CSIC; Graus, Sara; Tejedor, Rosa M. CSIC ORCID; López, Pilar; Elguero, José CSIC ORCID; Serrano, José Luis CSIC ORCID; Uriel, Santiago CSIC ORCID | artículo |
| 7 | closedAccess |  | 2014 | An experimental and theoretical study of the structure of Lamotrigine in its neutral and protonated forms: Evidence of Lamotrigine enantiomers | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Font, Anna; Galcerà, Judit CSIC; Mata, Ignasi CSIC ORCID; Molins, Elies CSIC ORCID ; Virgili, Albert | artículo |
| 8 | closedAccess |  | 2016 | Aromatic changes in isoelectronic derivatives of phenalenyl radicals by central carbon replacement | Sánchez-Sanz, Goar CSIC ORCID; Trujillo, Cristina CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 9 | closedAccess |  | 2017 | Carbenes as Electron-Pair Donors to CO2 for C⋯C Tetrel Bonds and C-C Covalent Bonds | Bene, J. E. del; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 10 | closedAccess |  | 2014 | A computational study on 3-azonia-,3-phosphonia-, and 3-arsoniaspiro [2.2] pentanes and related three-membered heterocycles | Trujillo, Cristina CSIC ORCID; Sánchez-Sanz, Goar CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 11 | closedAccess |  | 2016 | A theoretical and experimental NMR study of BODIPY 493/503: difluoro{2-[1-(3,5-dimethyl-2H-pyrrol-2-ylidene-N)ethyl]-3,5-dimethyl-1H-pyrrolato-N}boron | Jimeno, M. Luisa CSIC ORCID; Benito, Maria Teresa CSIC ORCID; Doyagüez, Elisa G. CSIC; Claramunt, Rosa M.; Sanz, Dionisia CSIC; Marín-Luna, Marta CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 12 | closedAccess |  | 2012 | Mechanisms of formation of hemiacetals: Intrinsic reactivity analysis | Azofra, Luis Miguel CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Toro-Labbé, A. | artículo |
| 13 | closedAccess |  | 2010 | A theoretical multinuclear NMR study of pyrazolylborates | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Claramunt, Rosa M.; López, Concepción; Sanz, D. | artículo |
| 14 | closedAccess |  | 2018 | Molecular structure in the solid state by X-ray crystallography and SSNMR and in solution by NMR of two 1,4-diazepines | Nieto, Carla I.; Sanz, Dionisia CSIC; Claramunt, Rosa M.; Torralba, M. Carmen; Torres, M. Rosario; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 15 | closedAccess |  | 2011 | Atropisomerism and conformational aspects of meso-tetraarylporphyrins and related compounds | Tomé, A. C.; Silva, Artur M. S.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 16 | closedAccess |  | 2017 | An insight on the aromatic changes in closed shell icosagen, tetrel, and pnictogen phenalenyl derivatives | Trujillo, Cristina CSIC ORCID; Sánchez-Sanz, Goar CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 17 | closedAccess |  | 2015 | A multinuclear magnetic resonance study of fluoro derivatives of hydroxybenzaldehydes | Sanz, Dionisia CSIC; Nieto, Carla; Claramunt, Rosa M.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 18 | closedAccess |  | 2011 | High resolution NMR of free radicals: 13C magic angle spinning of two solid organic free radicals derived from 4,5-dihydro-1H-imidazol-3-oxide-1-oxyl and theoretical calculation of their NMR properties | Santa María, Dolores; Claramunt, Rosa M.; Vasilevsky, S. F.; Klyatskaya, I.; Elguero, José CSIC ORCID; Alkorta, Ibon CSIC ORCID | artículo |
| 19 | openAccess |  | 28-ago-2015 | Fluorination effects on NOS inhibitory activity of pyrazoles related to curcumin | Nieto, Carla I.; Elguero, José CSIC ORCID; Acuña-Castroviejo, D. | artículo |
| 20 | closedAccess |  | 2012 | The tautomerism of fluorinated indazolinones in the solid state | Pérez-Medina, Carlos; López, Concepción; Cabildo, M. Pilar; Claramunt, Rosa M.; Torralba, M. Carmen; Torres, M. Rosario; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 21 | closedAccess |  | 2013 | A theoretical investigation of the mechanism of formation of a simplified analog of the green fluorescent protein (GFP) from a peptide model | Trujillo, Cristina CSIC ORCID; Sánchez-Sanz, Goar CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 22 | closedAccess |  | 2017 | Hydrogen Bond versus Halogen Bond in Cation–Cation Complexes: Effect of the Solvent | Chalanchi, S. M.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Quiñonero, D. | artículo |
| 23 | closedAccess |  | 2013 | Pnicogen bonded complexes of PO2X (X = F, Cl) with nitrogen bases | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Del Bene, Janet E. | artículo |
| 24 | closedAccess | | ene-2010 | Difluorobenzenes revisited: an experimental and theoretical study of spin–spin coupling constants for 1,2-, 1,3-, and 1,4-difluorobenzene | Alkorta, Ibon CSIC ORCID ; Blanco, Fernando CSIC; Del Bene, Janet E.; Elguero, José CSIC ORCID; Hernández-Folgado, Laura CSIC; Jimeno, M. Luisa CSIC ORCID | artículo |
| 25 | closedAccess |  | 2011 | Determination of the absolute configuration of 1,3,5-triphenyl-4,5- dihydropyrazole enantiomers by a combination of VCD, ECD measurements, and theoretical calculations | Vanthuyne, N.; Roussel, C.; Naubron, J.-V.; Jagerovic, Nadine CSIC ORCID ; Morales, Paula CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 26 | closedAccess |  | 2014 | Traditional and ion-pair halogen-bonded complexes between chlorine and bromine derivatives and a nitrogen-heterocyclic carbene | Donoso-Tauda, Oscar; Jaque, Pablo; Elguero, José CSIC ORCID; Alkorta, Ibon CSIC ORCID | artículo |
| 27 | closedAccess |  | 2010 | Probing 1J(C-F) andnJ(F-F) spin-spin coupling constants for fluoroazines: An Ab initio theoretical investigation | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 28 | closedAccess |  | 2014 | Cooperativity in beryllium bonds | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Yáñez, Manuel; Mó, Otilia CSIC ORCID | artículo |
| 29 | closedAccess |  | 2014 | A Spectroscopic study of colchicine in the solid state and in solution by multinuclear magnetic resonance and vibrational circular dichroism | Virgili, Albert; Quesada-Moreno, M. Mar; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; García, M. Ángeles; Claramunt, Rosa M.; Torres, M. Rosario; Jimeno, M. Luisa CSIC ORCID; Reviriego, Felipe CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 30 | closedAccess |  | 2011 | Synthesis and structural characterization of 1,2,4-diazaphospholide complexes of titanium(IV) and titanium(III) | Zheng, W.; Alkorta, Ibon CSIC ORCID ; Yang, D.; Wan, L; Zhao, M.; Elguero, José CSIC ORCID | artículo |
| 31 | closedAccess |  | 2012 | The chiral structure of 1H-indazoles in the solid state: A crystallographic, vibrational circular dichroism and computational study | González, J. J. L.; Ureña, F. P.; Moreno, J. R. A.; Mata, Ignasi CSIC ORCID; Molins, Elies CSIC ORCID ; Claramunt, Rosa M.; López, C.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 32 | closedAccess |  | 2013 | Characterizing Complexes with Pnicogen Bonds Involving sp2 Hybridized Phosphorus Atoms: (H2C═PX)2 with X = F, Cl, OH, CN, NC, CCH, H, CH3, and BH2 | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 33 | closedAccess | | 25-nov-2011 | Oxazolidinone cross-alkylation during Evans' asymmetric alkylation reaction | Fresno, Nieves CSIC; Pérez-Fernández, Ruth CSIC ORCID ; Goya, Pilar CSIC ORCID; Jimeno, M. Luisa CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Menéndez-Taboada, Laura CSIC; García-Granda, Santiago CSIC ORCID | artículo |
| 34 | closedAccess |  | 2011 | Do nitrogen bases form chlorine-shared and ion-pair halogen bonds? | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 35 | closedAccess |  | 2012 | Competition and interplay between σ-hole and π-hole interactions: A computational study of 1:1 and 1:2 complexes of nitryl halides (O 2NX) with ammonia | Solimannejad, Mohammad; Ramezani, V.; Trujillo, Cristina CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Sánchez-Sanz, Goar CSIC ORCID; Elguero, José CSIC ORCID | artículo |
| 36 | closedAccess |  | 2012 | Kinetics of coupled double proton and deuteron transfer in hydrogen-bonded ribbons of crystalline pyrazole-4-carboxylic acid | Torres, Vanesa CSIC; López, Juan Miguel; Langer, U.; Buntkowsky, Gerd; Vieth, H.-M.; Elguero, José CSIC ORCID; Limbach, Hans-Heinrich | artículo |
| 37 | 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 |
| 38 | openAccess | | 2016 | Exploring the Benzimidazole Ring as a Substitution for Indole in Cannabinoid Allosteric Modulators | Hernández-Folgado, Laura CSIC; Stevenson, Lesley A.; Morales, Paula CSIC ORCID; Gómez-Cañas, María; Pazos, Ruth; Cascio, Grazia; Jagerovic, Nadine CSIC ORCID ; Elguero, José CSIC ORCID; Pertwee, Roger; Goya, Pilar CSIC ORCID | artículo |
| 39 | openAccess |  | 2013 | Linear free energy relationships in halogen bonds | Alkorta, Ibon CSIC ORCID ; Sánchez-Sanz, Goar CSIC ORCID; Elguero, José CSIC ORCID | artículo |
| 40 | closedAccess |  | 2011 | Modeling the allosteric effect: Modification of the tautomerism by intermolecular interactions and extension to molecular wires | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 41 | closedAccess |  | 2011 | Structures, energies, bonding, and NMR properties of pnicogen complexes H2XP:NXH2 (X ≥ H, CH3, NH2, OH, F, Cl) | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Sánchez-Sanz, Goar CSIC ORCID; Elguero, José CSIC ORCID | artículo |
| 42 | closedAccess |  | 2013 | Non-covalent interactions: Complexes of guanidinium with DNA and RNA nucleobases | Blanco, Fernando CSIC; Kelly, Brendan; Sánchez-Sanz, Goar CSIC ORCID; Trujillo, Cristina CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Rozas, Isabel | artículo |
| 43 | closedAccess |  | 2011 | 31P-31P spin-spin coupling constants for pnicogen homodimers | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Sánchez-Sanz, Goar CSIC ORCID; Elguero, José CSIC ORCID | artículo |
| 44 | closedAccess |  | 2012 | Prototropic tautomerism of 5-aryloxy-1(2)H-tetrazoles | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 45 | openAccess |  | 2017 | Theoretical study of intramolecular interactions in peri-substituted naphthalenes: Chalcogen and hydrogen bonds | Sánchez-Sanz, Goar CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 46 | closedAccess |  | 2011 | An ab initio study of cooperative effects in ternary complexes X:CNH:Z with X, Z=CNH, FH, ClH, FCl, and HLi: Structures, binding energies, and spin-spin coupling constants across intermolecular bonds | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 47 | closedAccess |  | 2013 | A silver complex of chloroquine: Synthesis, characterization and structural properties | Dávalos, J.Z. CSIC ORCID ; González, Javier CSIC; Guerrero, Andrés CSIC; Valderrama-Negrón, Ana C.; Aguirre Méndez, Larry D.; Claramunt, Rosa M.; Santa María, Dolores; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 48 | closedAccess |  | 2013 | A theoretical study on the aromaticity of benzene and related derivatives incorporating a C-C≡C-C fragment Dedicated to Professor Ibon Alkorta on the occasion of his 50th anniversary | Sánchez-Sanz, Goar CSIC ORCID; Trujillo, Cristina CSIC ORCID; Rozas, Isabel; Elguero, José CSIC ORCID | artículo |
| 49 | openAccess |  | 2015 | Pyrrole-pyridine and pyrrole-naphthyridine hosts for anion recognition | García, M. A.; Farrán, M. Ángeles; Santa María, Dolores; Claramunt, Rosa M.; Torralba, M. Carmen; Torres, M. Rosario; Jaime, Carlos; Elguero, José CSIC ORCID | artículo |
| 50 | closedAccess |  | 2015 | Ab initio study in the hydration process of metaphosphoric acid: the importance of the pnictogen interactions | Alkorta, Ibon CSIC ORCID ; Azofra, Luis Miguel CSIC ORCID; Elguero, José CSIC ORCID | artículo |
