Derechos | Preview | Fecha Public. | Título | Autor(es) | Tipo |
openAccess | | 6-may-2020 | 9-Ethyladenine: Mechanochemical Synthesis, Characterization and DFT Calculations of Novel Cocrystals and Salts | Roselló, Yannick; Benito, Mónica CSIC; Bagués, Núria CSIC ORCID; Martínez, Núria; Moradell, Alba; Mata, Ignasi CSIC ORCID; Galcerà, Judit CSIC; Barceló Oliver, Miquel; Frontera, Antonio; Molins, Elies CSIC ORCID | artículo |
closedAccess | | 2014 | An experimental and theoretical study of the structure of Lamotrigine in its neutral and protonated forms: Evidence of Lamotrigine enantiomers | Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Font, Anna; Galcerà, Judit CSIC; Mata, Ignasi CSIC ORCID; Molins, Elies CSIC ORCID ; Virgili, Albert | artículo |
closedAccess | | 2012 | C - H⋯X (X = O, N or π) interactions in benzyl carbamate | Mata, Ignasi CSIC ORCID; Molins, Elies CSIC ORCID ; Amat, Mercedes; Llor, Núria; Checa, Begoña | artículo |
openAccess | | 27-jun-2016 | Charged versus Neutral Hydrogen-Bonded Complexes: Is There a Difference in the Nature of the Hydrogen Bonds? | Alkorta, Ibon CSIC ORCID ; Mata, Ignasi CSIC ORCID; Molins, Elies CSIC ORCID ; Espinosa, Enrique | artículo |
openAccess | | 28-ene-2009 | Effect of an external electric field on the dissociation energy and the electron density properties: The case of the hydrogen bonded dimer HFHF | Mata, Ignasi CSIC ORCID; Molins, Elies CSIC ORCID ; Alkorta, Ibon CSIC ORCID ; Espinosa, Enrique | artículo |
closedAccess | | 2012 | Electrostatics at the origin of the stability of phosphate-phosphate complexes locked by hydrogen bonds | Mata, Ignasi CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Molins, Elies CSIC ORCID ; Espinosa, Enrique | artículo |
openAccess | | 7-ene-2019 | Energetic, topological and electric field analyses of cation-cation nucleic acid interactions in Watson-Crick disposition | Alkorta, Ibon CSIC ORCID ; Mata, Ignasi CSIC ORCID; Molins, Elies CSIC ORCID ; Espinosa, Enrique | artículo |
closedAccess | | 2012 | The chiral structure of 1H-indazoles in the solid state: A crystallographic, vibrational circular dichroism and computational study | González, J. J. L.; Ureña, F. P.; Moreno, J. R. A.; Mata, Ignasi CSIC ORCID; Molins, Elies CSIC ORCID ; Claramunt, Rosa M.; López, C.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID | artículo |
closedAccess | | 2015 | The paradox of hydrogen-bonded anion-anion aggregates in oxoanions: A fundamental electrostatic problem explained in terms of electrophilic⋯nucleophilic interactions | Mata, Ignasi CSIC ORCID; Molins, Elies CSIC ORCID ; Alkorta, Ibon CSIC ORCID ; Espinosa, Enrique | artículo |
openAccess | | 13-feb-2019 | Topochemical nitridation of Sr2FeMoO6 | Ceravola, Roberta; Frontera, Carlos CSIC ORCID; Oró, Judith CSIC ORCID; Black, Ashley P. CSIC ORCID; Ritter, Clemens; Mata, Ignasi CSIC ORCID; Molins, Elies CSIC ORCID ; Fontcuberta, Josep CSIC ORCID; Fuertes, Amparo CSIC ORCID | artículo |
closedAccess | | 2017 | Topochemical synthesis of cation ordered double perovskite oxynitrides | Ceravola, Roberta; Oró, Judith CSIC ORCID; Black, Ashley P. CSIC ORCID; Ritter, C.; Puente-Orench, Inés CSIC ORCID; Mata, Ignasi CSIC ORCID; Molins, Elies CSIC ORCID ; Frontera, Carlos CSIC ORCID; Fuertes, Amparo CSIC ORCID | artículo |
closedAccess | | 2005 | Topological analysis of the electron density distribution in perturbed systems. I. Effect of charge on the bond properties of hydrogen fluoride | Espinosa, Enrique; Alkorta, Ibon CSIC ORCID ; Mata, Ignasi CSIC ORCID; Molins, Elies CSIC ORCID | artículo |
closedAccess | | 2007 | Topological properties of the electrostatic potential in weak and moderate N⋯H hydrogen bonds | Mata, Ignasi CSIC ORCID; Molins, Elies CSIC ORCID ; Alkorta, Ibon CSIC ORCID ; Espinosa, Enrique | artículo |
closedAccess | | 2013 | Tracing environment effects that influence the stability of anion-anion complexes: The case of phosphate-phosphate interactions | Mata, Ignasi CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Molins, Elies CSIC ORCID ; Espinosa, Enrique | artículo |
openAccess | | 15-ene-2016 | Tuning the structure and the mechanical properties of epoxy-silica sol-gel hybrid materials | Domènech, Berta CSIC ORCID; Mata, Ignasi CSIC ORCID; Molins, Elies CSIC ORCID | artículo |