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RightsPreviewIssue DateTitleAuthor(s)Type
closedAccessaccesoRestringido.pdf.jpg201131P-31P spin-spin coupling constants for pnicogen homodimersDel Bene, Janet E.; Alkorta, Ibon ; Sánchez-Sanz, Goar; Elguero, José artículo
closedAccessaccesoRestringido.pdf.jpg2014A computational study on 3-azonia-,3-phosphonia-, and 3-arsoniaspiro [2.2] pentanes and related three-membered heterocyclesTrujillo, Cristina; Sánchez-Sanz, Goar; Alkorta, Ibon ; Elguero, José artículo
closedAccessaccesoRestringido.pdf.jpg2012A theoretical study of 1:1 and 1:2 complexes of acetylene with nitrosyl hydrideSolimannejad, Mohammad; Gharabaghi, M.; Alkorta, Ibon ; Sánchez-Sanz, Goarartículo
closedAccessaccesoRestringido.pdf.jpg2012A theoretical study of six-membered rings containing the -N=S-S=N- motifAlkorta, Ibon ; Azofra, Luis Miguel; Sánchez-Sanz, Goar; Elguero, José artículo
closedAccessaccesoRestringido.pdf.jpg2011A theoretical study of the conformation of 2,2'-bifuran, 2,2'-bithiophene, 2,2'-bitellurophene and mixed derivatives: Chalcogen-chalcogen interactions or dipole-dipole effects?Sánchez-Sanz, Goar; Alkorta, Ibon ; Elguero, José artículo
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 ; Sánchez-Sanz, Goar; Trujillo, Cristina; Elguero, José ; 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; Trujillo, Cristina; Rozas, Isabel; Elguero, José artículo
closedAccessaccesoRestringido.pdf.jpg2013Ab initio study of cooperative effects in complexes X:HBO:Z, with X, Z=LiH, HNC, HF, HCN, HCl, ClF, and HBO: Structures, binding energies, and spin-spin coupling constants across intermolecular bondsDel Bene, Janet E.; Alkorta, Ibon ; Sánchez-Sanz, Goar; Elguero, José artículo
closedAccessaccesoRestringido.pdf.jpg2017An insight on the aromatic changes in closed shell icosagen, tetrel, and pnictogen phenalenyl derivativesTrujillo, Cristina; Sánchez-Sanz, Goar; Alkorta, Ibon ; Elguero, José artículo
closedAccessaccesoRestringido.pdf.jpg2016Aromatic changes in isoelectronic derivatives of phenalenyl radicals by central carbon replacementSánchez-Sanz, Goar; Trujillo, Cristina; Alkorta, Ibon ; Elguero, José artículo
closedAccessaccesoRestringido.pdf.jpg2012Cation-π vs. π-π interactions: Complexes of 2-pyridinylguanidinium derivatives and aromatic systemsKelly, B.; Sánchez-Sanz, Goar; Blanco, F.; Rozas, Isabelartículo
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, C.; Alkorta, Ibon ; Sánchez-Sanz, Goar; Elguero, José artículo
closedAccessaccesoRestringido.pdf.jpg2016Competition between intramolecular hydrogen and pnictogen bonds in protonated systemsSánchez-Sanz, Goar; Trujillo, Cristina; Alkorta, Ibon ; Elguero, José artículo
closedAccessaccesoRestringido.pdf.jpg2012Electron density shift description of non-bonding intramolecular interactionsSánchez-Sanz, Goar; Trujillo, Cristina; Alkorta, Ibon ; Alkorta, Ibon ; Elguero, José artículo
closedAccessaccesoRestringido.pdf.jpg2013Exploring (NH2F)2, H2FP:NFH2, and (PH2F)2 potential surfaces: Hydrogen bonds or pnicogen bonds?Alkorta, Ibon ; Sánchez-Sanz, Goar; Elguero, José ; Del Bene, Janet E.artículo
closedAccessaccesoRestringido.pdf.jpg2012FCl:PCX complexes: Old and new types of halogen bondsAlkorta, Ibon ; Sanche; Sánchez-Sanz, Goar; Elguero, José ; Del Bene, Janet E.artículo
closedAccessaccesoRestringido.pdf.jpg2012Homo- and heterochiral dimers (PHFX) 2, X = Cl, CN, CH 3, NC: To what extent do they differ?Del Bene, J.E.; Sánchez-Sanz, Goar; Alkorta, Ibon ; Elguero, José artículo
openAccessPhys. Chem. Chem. Phys. 2015.pdf.jpg2015Influence of fluoro and cyano substituents in the aromatic and antiaromatic characteristics of cyclooctatetraeneSánchez-Sanz, Goar; Trujillo, C.; Rozas, Isabel; Alkorta, Ibon artículo
closedAccessaccesoRestringido.pdf.jpg2013Intermolecular spin-spin coupling constants between 31P atomsSanz, David; Claramunt, Rosa M.; Mathey, F.; Alkorta, Ibon ; Sánchez-Sanz, Goar; Elguero, José artículo
closedAccessaccesoRestringido.pdf.jpg2012Interplay of F-H ...F hydrogen bonds and P ...N pnicogen bondsDel Bene, Janet E.; Alkorta, Ibon ; Sánchez-Sanz, Goar; Elguero, José artículo