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openAccessRosello_CrystGrowthDes_2020_postprint.pdf.jpg6-may-20209-Ethyladenine: Mechanochemical Synthesis, Characterization and DFT Calculations of Novel Cocrystals and SaltsRoselló, 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
closedAccessaccesoRestringido.pdf.jpg2014An experimental and theoretical study of the structure of Lamotrigine in its neutral and protonated forms: Evidence of Lamotrigine enantiomersAlkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Font, Anna; Galcerà, Judit CSIC; Mata, Ignasi CSIC ORCID; Molins, Elies CSIC ORCID ; Virgili, Albertartículo
closedAccessaccesoRestringido.pdf.jpg2012C - H⋯X (X = O, N or π) interactions in benzyl carbamateMata, Ignasi CSIC ORCID; Molins, Elies CSIC ORCID ; Amat, Mercedes; Llor, Núria; Checa, Begoñaartículo
openAccessAlkorta_ChemEurJ_2016_postprint.pdf.jpg27-jun-2016Charged 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, Enriqueartículo
openAccessGetPDFServlet.pdf.jpg28-ene-2009Effect of an external electric field on the dissociation energy and the electron density properties: The case of the hydrogen bonded dimer HFHFMata, Ignasi CSIC ORCID; Molins, Elies CSIC ORCID ; Alkorta, Ibon CSIC ORCID ; Espinosa, Enriqueartículo
closedAccessaccesoRestringido.pdf.jpg2012Electrostatics at the origin of the stability of phosphate-phosphate complexes locked by hydrogen bondsMata, Ignasi CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Molins, Elies CSIC ORCID ; Espinosa, Enriqueartículo
openAccessAlkorta_ChemPhysChem_2019_postprint.pdf.jpg7-ene-2019Energetic, topological and electric field analyses of cation-cation nucleic acid interactions in Watson-Crick dispositionAlkorta, Ibon CSIC ORCID ; Mata, Ignasi CSIC ORCID; Molins, Elies CSIC ORCID ; Espinosa, Enriqueartículo
closedAccessaccesoRestringido.pdf.jpg2012The chiral structure of 1H-indazoles in the solid state: A crystallographic, vibrational circular dichroism and computational studyGonzález, 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 ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2015The paradox of hydrogen-bonded anion-anion aggregates in oxoanions: A fundamental electrostatic problem explained in terms of electrophilic⋯nucleophilic interactionsMata, Ignasi CSIC ORCID; Molins, Elies CSIC ORCID ; Alkorta, Ibon CSIC ORCID ; Espinosa, Enriqueartículo
openAccessCeravola_ChemComm_2019_editorial.pdf.jpg13-feb-2019Topochemical nitridation of Sr2FeMoO6Ceravola, 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 ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2017Topochemical synthesis of cation ordered double perovskite oxynitridesCeravola, 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 ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2005Topological analysis of the electron density distribution in perturbed systems. I. Effect of charge on the bond properties of hydrogen fluorideEspinosa, Enrique; Alkorta, Ibon CSIC ORCID ; Mata, Ignasi CSIC ORCID; Molins, Elies CSIC ORCID artículo
closedAccessaccesoRestringido.pdf.jpg2007Topological properties of the electrostatic potential in weak and moderate N⋯H hydrogen bondsMata, Ignasi CSIC ORCID; Molins, Elies CSIC ORCID ; Alkorta, Ibon CSIC ORCID ; Espinosa, Enriqueartículo
closedAccessaccesoRestringido.pdf.jpg2013Tracing environment effects that influence the stability of anion-anion complexes: The case of phosphate-phosphate interactionsMata, Ignasi CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Molins, Elies CSIC ORCID ; Espinosa, Enriqueartículo
openAccessDomenech_RSCAdvances_2016_postprint.pdf.jpg15-ene-2016Tuning the structure and the mechanical properties of epoxy-silica sol-gel hybrid materialsDomènech, Berta CSIC ORCID; Mata, Ignasi CSIC ORCID; Molins, Elies CSIC ORCID artículo