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Derechos | Preview | Fecha Public. | Título | Autor(es) | Tipo |
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 |
openAccess | | 2022 | A Mutant Variant of E2F4 Triggers Multifactorial Therapeutic Effects in 5xFAD Mice | López-Sánchez, N.; Ramón-Landreau, Morgan CSIC ORCID; Trujillo, Cristina CSIC ORCID; Garrido-García, A. CSIC ORCID; Frade López, José María CSIC ORCID | artículo |
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 |
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 |
closedAccess | | 2012 | A theoretical reappraisal of the cyclol hypothesis | Alkorta, Ibon CSIC ORCID ; Sánchez-Sanz, Goar CSIC ORCID; Trujillo, Cristina CSIC ORCID; Azofra, Luis Miguel CSIC ORCID; Elguero, José CSIC ORCID | artículo |
closedAccess | | 2011 | A theoretical study of the hydrogen bonding properties of H2BNH2: Some considerations on the basis set superposition error issue | Alkorta, Ibon CSIC ORCID ; Trujillo, Cristina CSIC ORCID; Elguero, José CSIC ORCID; Solimannejad, Mohammad | artículo |
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 |
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 |
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 |
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 |
openAccess | | 2015 | Bisimidazoline arylamides binding to the DNA minor groove: N1-hydroxylation enhances binding affinity and selectivity to AATT sites | Ríos Martínez, Carlos H. CSIC; Lagartera, Laura CSIC ORCID; Trujillo, Cristina CSIC ORCID; Dardonville, Christophe CSIC ORCID | artículo |
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 |
closedAccess | | 2016 | Competition between intramolecular hydrogen and pnictogen bonds in protonated systems | Sánchez-Sanz, Goar CSIC ORCID; Trujillo, Cristina CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
closedAccess | | 2015 | Computational Study of Proton Transfer in Tautomers of 3- and 5-Hydroxypyrazole Assisted by Water | Trujillo, Cristina CSIC ORCID; Sánchez-Sanz, Goar CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
openAccess | | 2019 | Cooperative effects in weak interactions: Enhancement of tetrel bonds by intramolecular hydrogen bonds | Trujillo, Cristina CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Sánchez-Sanz, Goar CSIC ORCID | artículo |
closedAccess | | 2012 | Electron density shift description of non-bonding intramolecular interactions | Sánchez-Sanz, Goar CSIC ORCID; Trujillo, Cristina CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
closedAccess | | 2017 | Enhancing Intramolecular Chalcogen Interactions in 1-Hydroxy-8-YH-naphthalene Derivatives | Sánchez-Sanz, Goar CSIC ORCID; Trujillo, Cristina CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
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 |
closedAccess | | 2015 | Halogen, 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 ORCID | artículo |
openAccess | | 2015 | Influence of fluoro and cyano substituents in the aromatic and antiaromatic characteristics of cyclooctatetraene | Sánchez-Sanz, Goar CSIC ORCID; Trujillo, Cristina CSIC ORCID; Rozas, Isabel; Alkorta, Ibon CSIC ORCID | artículo |