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DerechosPreviewFecha Public.TítuloAutor(es)Tipo
closedAccessaccesoRestringido.pdf.jpg2014A computational study on 3-azonia-,3-phosphonia-, and 3-arsoniaspiro [2.2] pentanes and related three-membered heterocyclesTrujillo, Cristina CSIC ORCID; Sánchez-Sanz, Goar CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCIDartículo
openAccess12035_2022_Article_2764.pdf.jpg2022A Mutant Variant of E2F4 Triggers Multifactorial Therapeutic Effects in 5xFAD MiceLópez-Sánchez, N.; Ramón-Landreau, Morgan CSIC ORCID; Trujillo, Cristina CSIC ORCID; Garrido-García, A. CSIC ORCID; Frade López, José María CSIC ORCID artículo
closedAccessaccesoRestringido.pdf.jpg2013A theoretical investigation of the mechanism of formation of a simplified analog of the green fluorescent protein (GFP) from a peptide modelTrujillo, Cristina CSIC ORCID; Sánchez-Sanz, Goar CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2012A theoretical NMR study of the structure of benzynes and some of their carbocyclic and heterocyclic analogsSánchez-Sanz, Goar CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Trujillo, Cristina CSIC ORCID; Elguero, José CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2012A theoretical reappraisal of the cyclol hypothesisAlkorta, Ibon CSIC ORCID ; Sánchez-Sanz, Goar CSIC ORCID; Trujillo, Cristina CSIC ORCID; Azofra, Luis Miguel CSIC ORCID; Elguero, José CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2011A theoretical study of the hydrogen bonding properties of H2BNH2: Some considerations on the basis set superposition error issueAlkorta, Ibon CSIC ORCID ; Trujillo, Cristina CSIC ORCID; Elguero, José CSIC ORCID; Solimannejad, Mohammadartículo
closedAccessaccesoRestringido.pdf.jpg2012A theoretical study of the parent NH-benzazoles (benzimidazoles, indazoles and benzotriazoles): Geometries, energies, acidity and basicity, NMR properties and molecular electrostatic potentialsAlkorta, Ibon CSIC ORCID ; Sánchez-Sanz, Goar CSIC ORCID; Trujillo, Cristina CSIC ORCID; Elguero, José CSIC ORCID; Claramunt, Rosa M.artículo
closedAccessaccesoRestringido.pdf.jpg2013A 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 anniversarySánchez-Sanz, Goar CSIC ORCID; Trujillo, Cristina CSIC ORCID; Rozas, Isabel; Elguero, José CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2017An insight on the aromatic changes in closed shell icosagen, tetrel, and pnictogen phenalenyl derivativesTrujillo, Cristina CSIC ORCID; Sánchez-Sanz, Goar CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2016Aromatic changes in isoelectronic derivatives of phenalenyl radicals by central carbon replacementSánchez-Sanz, Goar CSIC ORCID; Trujillo, Cristina CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCIDartículo
openAccess2015Bisimidazoline arylamides binding to the DNA minor groove: N1-hydroxylation enhances binding affinity and selectivity to AATT sitesRíos Martínez, Carlos H. CSIC; Lagartera, Laura CSIC ORCID; Trujillo, Cristina CSIC ORCID; Dardonville, Christophe CSIC ORCID artículo
closedAccessaccesoRestringido.pdf.jpg2012Competition 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 ammoniaSolimannejad, Mohammad; Ramezani, V.; Trujillo, Cristina CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Sánchez-Sanz, Goar CSIC ORCID; Elguero, José CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2016Competition between intramolecular hydrogen and pnictogen bonds in protonated systemsSánchez-Sanz, Goar CSIC ORCID; Trujillo, Cristina CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2015Computational Study of Proton Transfer in Tautomers of 3- and 5-Hydroxypyrazole Assisted by WaterTrujillo, Cristina CSIC ORCID; Sánchez-Sanz, Goar CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCIDartículo
openAccessmolecules-24-00308.pdf.jpg2019Cooperative effects in weak interactions: Enhancement of tetrel bonds by intramolecular hydrogen bondsTrujillo, Cristina CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Sánchez-Sanz, Goar CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2012Electron density shift description of non-bonding intramolecular interactionsSánchez-Sanz, Goar CSIC ORCID; Trujillo, Cristina CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2017Enhancing Intramolecular Chalcogen Interactions in 1-Hydroxy-8-YH-naphthalene DerivativesSánchez-Sanz, Goar CSIC ORCID; Trujillo, Cristina CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCIDartículo
openAccessacs.jpca.1c00830.pdf.jpg2021Evaluation of Electron Density Shifts in Noncovalent InteractionsIribarren, Iñigo; Sánchez-Sanz, Goar CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Trujillo, Cristina CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2015Halogen, chalcogen and pnictogen interactions in (XNO<inf>2</inf>)<inf>2</inf> homodimers (X = F, Cl, Br, I)Trujillo, Cristina CSIC ORCID; Sánchez-Sánchez, Goar; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCIDartículo
openAccessPhys. Chem. Chem. Phys. 2015.pdf.jpg2015Influence of fluoro and cyano substituents in the aromatic and antiaromatic characteristics of cyclooctatetraeneSánchez-Sanz, Goar CSIC ORCID; Trujillo, Cristina CSIC ORCID; Rozas, Isabel; Alkorta, Ibon CSIC ORCID artículo