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Derechos | Preview | Fecha Public. | Título | Autor(es) | Tipo |
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 |
closedAccess | | 2005 | Periodic trends in bond dissociation energies. A theoretical study | Mó, Otilia CSIC ORCID; Yañez, Manuel; Eckert-Maksic, M.; Maksic, Z. B.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
openAccess | | 2021 | Perturbing the O–H . . . O Hydrogen Bond in 1-oxo-3-hydroxy-2-propene | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Del Bene, Janet E. | artículo |
closedAccess | | 2006 | Phosphole, pyrrole, and their tetrahydro derivatives: A theoretical study of their properties | Alkorta, Ibon CSIC ORCID ; Zborowski, K. K.; Elguero, José CSIC ORCID | artículo |
closedAccess | | 2013 | Phosphorus as a simultaneous electron-pair acceptor in intermolecular P⋯N pnicogen bonds and electron-pair donor to lewis acids | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Sánchez-Sanz, Goar CSIC ORCID; Elguero, José CSIC ORCID | artículo |
closedAccess | | 2015 | Pnicogen and hydrogen bonds: Complexes between PH3X+ and PH2X systems | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Grabowski, S. J. | artículo |
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 |
closedAccess | | 2014 | Pnicogen bonds between X=PH3 (X = O, S, NH, CH2) and phosphorus and nitrogen bases | Alkorta, Ibon CSIC ORCID ; Sánchez-Sanz, Goar CSIC ORCID; Elguero, José CSIC ORCID; Del Bene, Janet E. | artículo |
closedAccess | | 2019 | Pnicogen bonds in complexes with CO and CS: differentiating properties | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
closedAccess | | 2014 | Pnicogen-bonded anionic complexes | Bene, J. E. del; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
closedAccess | | 2014 | Pnicogen-bonded complexes HnF5-nP:N-base, for n = 0-5 | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
closedAccess | | 2013 | Pnicogen-bonded cyclic trimers (PH2X)3 with X = F, Cl, OH, NC, CN, CH3, H, and BH2 | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Del Bene, Janet E. | artículo |
closedAccess | | 2022 | Polyhedra, Tiles and Graphene Defects: The Case of Tetraoctite | Elguero, José CSIC ORCID; Alkorta, Ibon CSIC ORCID | artículo |
closedAccess | | 2005 | Polyynes vs. cumulenes: Their possible use as molecular wires | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
closedAccess | | 2019 | Potential Energy Surfaces of HN(CH)SX:CO2 for X = F, Cl, NC, CN, CCH, and H: N···C Tetrel Bonds and O···S Chalcogen Bonds | Del Bene, Janet E.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
closedAccess | | 2018 | Predicted Gas-Phase and Liquid-Phase Acidities of Carborane Carboxylic and Dicarboxylic Acids | Oliva, José M. CSIC ORCID; Humbel, S.; Santaballa, J.A.; Alkorta, Ibon CSIC ORCID ; Notario, Rafael CSIC ORCID; Dávalos, J.Z. CSIC ORCID ; Canle-L., M.; Bernhardt, E.; Holub, J.; Hnyk, D. | artículo |
closedAccess | | 2013 | Predicting pKa values in aqueous solution for the guanidine functional group from gas phase ab initio bond lengths | Griffiths, Mark Z.; Alkorta, Ibon CSIC ORCID ; Popelier, Paul L. A. | artículo |
closedAccess | | 2010 | Prediction of the basicities of pyridines in the gas phase and in aqueous solution | Hawe, G. I.; Alkorta, Ibon CSIC ORCID ; Popelier, Paul L. A. | artículo |
closedAccess | | 2013 | Preparation of 2,2-dimethylchroman-4-ones from 5-alkyl-substituted resorcinols: Microwave-assisted synthesis and theoretical calculations | Morales, Paula CSIC ORCID; Azofra, Luis Miguel CSIC ORCID; Cumella, José; Hernández-Folgado, Laura CSIC; Roldán, María; Alkorta, Ibon CSIC ORCID ; Jagerovic, Nadine CSIC ORCID | artículo |
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 |