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| | Derechos | Preview | Fecha Public. | Título | Autor(es) | Tipo |
| 1 | openAccess |  | 2021 | Large stabilization effects by intramolecular beryllium bonds in ortho-benzene derivatives | I-Ting, T.; Montero-Campillo, M. Merced CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Yáñez, M. | artículo |
| 2 | openAccess |  | 12-jul-2021 | Alkylammonium Cation Affinities of Nitrogenated Organobases: The Roles of Hydrogen Bonding and Proton Transfer | Sanchez-Andrada, Pilar; Vidal-Vidal, Angel; Prieto, Tania; Elguero, José CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Marín-Luna, Marta CSIC ORCID | artículo |
| 3 | closedAccess |  | 2020 | A Conceptual DFT Study of Phosphonate Dimers: Dianions Supported by H-Bonds | Azofra, Luis Miguel CSIC ORCID; Elguero, José CSIC ORCID; Alkorta, Ibon CSIC ORCID | artículo |
| 4 | openAccess |  | 1-ene-2021 | On the 3D → 2D Isomerization of Hexaborane(12) | Oliva, José M. CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Ferrer, Maxime CSIC ORCID; Burgos Gil, José Ignacio | artículo |
| 5 | openAccess |  | 2021 | Stationary states of systems with intermolecular interactions dominated by electrostatics: Structure of trimethylammonium and tetramethylammonium chlorides and bromides in the gas phase, monomers and dimers | Denisov, G. S.; Limbach, Hans-Heinrich; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 6 | closedAccess |  | 2020 | A relative energy gradient (REG) study of the nitrogen inversion in N-substituted aziridines | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Popelier, Paul L. A. | artículo |
| 7 | closedAccess |  | 2020 | A C(π-hole)⋯Cl-Zn tetrel interaction driving a metal-organic supramolecular assembly | Ramírez de Arellano, Carmen; Adam, Rosa; Ballesteros-Garrido, R.; Abarca, Belén; Ballesteros, Rafael; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Escrivá, Emilio | artículo |
| 8 | openAccess |  | 4-ago-2021 | How Aromatic Fluorination Exchanges the Interaction Role of Pyridine with Carbonyl Compounds: The Formaldehyde Adduct | López, Juan Carlos; Macario, Alberto; Maris, Assimo; Alkorta, Ibon CSIC ORCID ; Blanco, Susana | artículo |
| 9 | closedAccess |  | 2021 | Clustering of Electron Deficient B- and Be-Containing Analogues: In the Fight for Tetracoordination, Beryllium Takes the Lead | Montero-Campillo, M. Merced CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Mó, Otilia CSIC ORCID; Elguero, José CSIC ORCID; Yañez, Manuel | artículo |
| 10 | closedAccess |  | 2020 | Diborane Concatenation Leads to New Planar Boron Chemistry | Oliva, José M. CSIC ORCID; Kondo, T.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Kleijn, D. J. | artículo |
| 11 | openAccess |  | 2021 | Evaluation of Electron Density Shifts in Noncovalent Interactions | Iribarren, Iñigo; Sánchez-Sanz, Goar CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Trujillo, Cristina CSIC ORCID | artículo |
| 12 | closedAccess |  | 2021 | Multinuclear magnetic resonance studies of five silver(I) trinuclear pyrazolate complexes | Fujisawa, K.; Okano, M.; Martín-Pastor, Manuel; López-Sánchez, Rubén CSIC ORCID; Elguero, José CSIC ORCID; Alkorta, Ibon CSIC ORCID | artículo |
| 13 | openAccess | | 24-feb-2021 | Anion-anion and cation-cation complexes | Alkorta, Ibon CSIC ORCID | comunicación de congreso |
| 14 | closedAccess |  | 2020 | Perimidines: A unique π-amphoteric heteroaromatic system | Pozharskii, A. F.; Gulevskaya, A. V.; Claramunt, Rosa M.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 15 | closedAccess |  | 2021 | Anion Complexation Strongly Influences the Reactivity of Octafluorocyclooctatetraene | Muriel-Olaya, Milagros; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 16 | openAccess |  | 2020 | Hybrid Boron-Carbon Chemistry | Oliva, José M. CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 17 | closedAccess |  | 2020 | Theoretical and spectroscopic characterization of API-related azoles in solution and in solid state | Marín-Luna, Marta CSIC ORCID; Claramunt, Rosa M.; Elguero, José CSIC ORCID; Alkorta, Ibon CSIC ORCID | artículo de revisión |
| 18 | openAccess |  | 2020 | Regium Bonds between Silver(I) Pyrazolates Dinuclear Complexes and Lewis Bases (N2, OH2, NCH, SH2, NH3, PH3, CO and CNH) | Alkorta, Ibon CSIC ORCID ; Trujillo, Cristina CSIC ORCID; Sánchez-Sanz, Goar CSIC ORCID; Elguero, José CSIC ORCID | artículo |
| 19 | openAccess |  | 18-jun-2020 | Environment-Sensitive Probes for Illuminating Amyloid Ag-gregation in vitro and in Zebrafish | Fueyo-González, Francisco CSIC ORCID; González-Vera, Juan A. CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Infantes, L. CSIC ORCID; Jimeno, M. Luisa CSIC ORCID; Aranda, Paula; Acuña-Castroviejo, D.; Ruiz-Arias, Alvaro; Orte, Angel; Herranz, Rosario CSIC ORCID | artículo |
| 20 | openAccess |  | 10-ago-2021 | Sequestration of Carbon Dioxide with Frustrated Lewis Pairs Based on N‑Heterocycles with Silane/Germane Groups | Ferrer, Maxime CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Oliva, José M. CSIC ORCID | artículo |
| 21 | openAccess |  | 7-may-2020 | Hydrogen vs. Halogen Bonds in 1-Halo-Closo-Carboranes | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Oliva, José M. CSIC ORCID | artículo |
| 22 | 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 |
| 23 | 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 |
| 24 | openAccess |  | 2021 | A structural analysis of 2,5-di aryl-4H-2,4-dihydro-3 H- 1,2,4-triazol-3-ones: NMR in the solid state, X-ray crystallography, and GIPAW calculations | Marín-Luna, Marta CSIC ORCID; Sánchez-Andrada, Pilar; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Torralba, M. Carmen; Delgado-Martínez, Patricia; Santa María, Dolores; Claramunt, Rosa M. | artículo |
| 25 | 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 |
| 26 | closedAccess |  | 2020 | An experimental and computational NMR study of organometallic nine-membered rings: Trinuclear silver(I) complexes of pyrazolate ligands | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Dias, H. V. Rasika; Parasar, D.; Martín-Pastor, Manuel | artículo |
| 27 | openAccess |  | 19-jun-2020 | Unusual Complexes of P(CH)3 with FH, ClH, and ClF | Bene, J. E. del; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | |
| 28 | openAccess |  | 2021 | Microsolvation of the Be-F bond in complexes of BeF2, BeF3–1, and BeF4–2 with nH2O, for n = 1–6 | Del Bene, Janet E.; Elguero, José CSIC ORCID; Alkorta, Ibon CSIC ORCID | artículo |
| 29 | openAccess |  | dic-2021 | The use of DOSY experiments to determine the solution structures of coinage metal pyrazolates: The case of {[3,5-(CF3)2Pz]Ag}3 | Alkorta, Ibon CSIC ORCID ; Benito, Maria Teresa CSIC ORCID; Elguero, José CSIC ORCID; Doyagüez, Elisa G. CSIC; Patterson, Monika R; Jimeno, M. Luisa CSIC ORCID; Dias, H. V. Rasika; Reviriego, Felipe CSIC ORCID | artículo |
| 30 | openAccess |  | 2021 | IR and NMR properties of N-base:PH2F:BeX2 ternary and corresponding binary complexes stabilised by pnicogen and beryllium bonds | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 31 | closedAccess |  | 2020 | Calculated coupling constants 1J(X–Y) and 1K(X–Y), and fundamental relationships among the reduced coupling constants for molecules HmX–YHn, with X, Y ═ 1H, 7Li, 9Be, 11B, 13C, 15N, 17O, 19F, 31P, 33S, and 35Cl | Elguero, José CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Del Bene, Janet E. | artículo |
| 32 | closedAccess |  | 2021 | Conformational analysis of 2,5-diaryl-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-ones: Multinuclear NMR and DFT calculations | Sánchez-Andrada, Pilar; Marín-Luna, Marta CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Percho, Gema; Santa María, Dolores; Claramunt, Rosa M. | artículo |
| 33 | closedAccess |  | 2021 | Zinc(II) complexes derived from 2-formylpyridine nicotinoyl hydrazone as organic blocker: Syntheses, crystal architectures, Hirshfeld surface analyses and DFT studies | Mahmoudi, Ghodrat; Chowdhury, Habibar; Ghosh Barindra, Kumar; Kubicki, Maciej; Bartyzel, Agata; White, Jonathan M.; Alkorta, Ibon CSIC ORCID ; Gurbanov, Atash V.; Safin, Damir A. | artículo |
| 34 | closedAccess |  | 2021 | 1,2-dihydro-1,3,2-diazaborinine tautomer as an electron-pair donor in hydrogen-bonded complexes | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Del Bene, Janet E. | artículo |
| 35 | closedAccess |  | 2020 | From Very Strong to Inexistent Be−Be Bonds in the Interactions of Be2 with π-Systems | Vos, Eva; Montero-Campillo, M. Merced CSIC ORCID; Corral, I.; Yañez, M.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 36 | openAccess |  | 2020 | Complexes Between Adamantane Analogues B4X6 -X = {CH2, NH, O ; SiH2, PH, S} - and Dihydrogen, B4X6:nH2 (n = 1–4) | Oliva, José M. CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 37 | closedAccess |  | 2021 | Tetranuclear copper(ii) cubane complexes derived from self-assembled 1,3-dimethyl-5-(o-phenolate-azo)-6-aminouracil: structures, non-covalent interactions and magnetic property | Nandi, N. B.; Purkayastha, A.; Roy, S.; Klak, J.; Ganguly, R.; Alkorta, Ibon CSIC ORCID ; Misra, T. K. | artículo |
| 38 | openAccess |  | 2021 | The Electrophilicities of XCF3 and XCl (X=H, Cl, Br, I) and the Propensity of These Molecules To Form Hydrogen and Halogen Bonds with Lewis Bases: An Ab Initio Study | Alkorta, Ibon CSIC ORCID ; Legon, A. C. | artículo |
| 39 | openAccess |  | 11-dic-2020 | The Importance of Strain (Preorganization) in Beryllium Bonds | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Oliva, José M. CSIC ORCID; Yáñez, Manuel; Mó, Otilia CSIC ORCID; Montero-Campillo, M. Merced CSIC ORCID | artículo |
| 40 | closedAccess |  | 2021 | A theoretical study of inversion barriers and NMR chemical shifts of 3-pyrazolines (2,3-dihydro-1H-pyrazoles) | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 41 | closedAccess |  | 2020 | Rivalry between Regium and Hydrogen Bonds Established within Diatomic Coinage Molecules and Lewis Acids/Bases | Sánchez-Sanz, Goar CSIC ORCID; Trujillo, Cristina CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 42 | closedAccess |  | 2020 | Metastable Dianions and Dications | Quiñonero, D.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 43 | openAccess |  | 2020 | An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Study of the Halogen Bond with Explicit Analysis of Electron Correlation | Alkorta, Ibon CSIC ORCID ; Silva, Arnaldo F.; Popelier, Paul L. A. | artículo |
| 44 | openAccess |  | 2020 | Hydrogen bonds and halogen bonds in complexes of carbones L→C←L as electron donors to HF and ClF, for L = CO, N2, HNC, PH3, and SH2 | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
| 45 | closedAccess |  | 2020 | Mutual Influence of Pnicogen Bonds and Beryllium Bonds: Energies and Structures in the Spotlight | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Del Bene, Janet E.; Mó, Otilia CSIC ORCID; Montero-Campillo, M. Merced CSIC ORCID; Yáñez, M. | artículo |
| 46 | closedAccess |  | 2020 | Supramolecular lead(ii) architectures engineered by tetrel bonds | Akbari Afkhami, Farhad; Mahmoudi, Ghodrat; Qu, F.; Gupta, A.; Köse, M.; Zangrando, Ennio; Zubkov, F. I.; Alkorta, Ibon CSIC ORCID ; Safin, Damir A | artículo |
| 47 | openAccess |  | 28-jul-2021 | Reactivity of Coinage Metal Hydrides for the Production of H 2 Molecules | Iribarren, Iñigo; Sánchez-Sanz, Goar CSIC ORCID; Elguero, José CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Trujillo, Cristina CSIC ORCID | artículo |
| 48 | openAccess |  | 2020 | Not Only Hydrogen Bonds: Other Noncovalent Interactions | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Frontera, Antonio | artículo |
| 49 | closedAccess |  | 2021 | A 13C chemical shifts study of iodopyrazoles: experimental results and relativistic and non-relativistic calculations | Alkorta, Ibon CSIC ORCID ; Claramunt, Rosa M.; Sanz, Dionisia CSIC; Elguero, José CSIC ORCID; Holzer, W. | artículo |
| 50 | closedAccess |  | 2020 | Complexes H2CO:PXH2 and HCO2H : PXH2 for X=NC, F, Cl, CN, OH, CCH, CH3, and H: Pnicogen Bonds and Hydrogen Bonds | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
