Química supramolecular (SUPRAMOL)
Publicacions en revistes
- López, K.A.; Piña, M.N.; Morey, J., "Synthesis of unsymmetrical mono and bis-Squaramides with (3-aminopropyl)triethoxysilane (APTES) or Dopamine Moieties", "Synlett", Volum 23, Número 19, Pàgines 2830-2834, 2012. Article.
- Das, L.K.; Kadam, R.M.; Bauza, A.; Frontera, A.; Ghosh, A., "Differences in Nuclearity, Molecular Shapes, and Coordination Modes of Azide in the Complexes of Cd(II) and Hg(II) with a 'Metalloligand' [CuL] (H2L = N,N'-Bis(salicylidene)-1,3-propanediamine): Characterization in Solid and in Solutions, and Theoretical Calculations", "Inorganic Chemistry", Volum 51, Número 22, Pàgines 12407-12418, 2012. Article.
- Quinonero, D.; Frontera, A.; Deya, P.M., "Interplay between ion-pi and Ar/pi Van der Waals interactions", "Computational And Theoretical Chemistry", Volum 998, Pàgines 51-56, 2012. Article.
- Bauza, A.; Quinonero, D.; Deya, P.M.; Frontera, A., "Theoretical ab initio study of lone pair and anion-pi interactions in fluorinated tropolones", "Computational And Theoretical Chemistry", Volum 998, Pàgines 20-25, 2012. Article.
- Biswas, A.; Drew, M.G.B.; Diaz, C.; Bauza, A.; Frontera, A. y Ghosh, A., "Cis-trans isomerism in diphenoxido bridged dicopper complexes: role of crystallized water to stabilize the cis isomer, variation in magnetic properties and conversion of both into a trinuclear species", "Dalton Transactions", Volum 2012, Número 41, Pàgines 12200-12212, 2012. Article.
- Quinonero, D.; Frontera, A.; Deya, P.M., "Feasibility of Single-Walled Carbon Nanotubes as Materials for CO2 Adsorption: A DFT Study", "Journal Of Physical Chemistry C", Volum 116, Número 39, Pàgines 21083-21092, 2012. Article.
- Biswas, A.; Estarellas, C.; Frontera, A.; Ballester, P.; Drew, M. G. B.; Gamez, P.; Ghosh, A., "Effect of a methyl group on the spontaneous resolution of a square-pyramidal coordination compound: crystal packing and conglomerate formation", "Crystengcomm", Volum 14, Número 18, Pàgines 5854-5861, 2012. Article.
- Cañellas, P.; Torres, M.; Bauzá, A.; Cánaves, M.; Sánchez, K.; Cabra, M.I.; García-Raso, A.; Fiol, J.J.; Deyà, P.M.; Molins, E.; Mata, I. y Frontera, A., "Complexes of Zn(II) with N-Imidazolyl and -pyrazolyl pyrimidine Donor Ligands: Synthesis, Crystal Structure and Theoretical Study", "European Journal of Inorganic Chemistry", Volum 2012, Número 25, Pàgines 3995-4003, 2012. Article.
- Cañellas, P.; Bauzá, A.; García-Raso, A.; Fiol, J.J.; Deyà, P.M.; Molins, E.; Mata, I.; Frontera, A., "Synthesis, X-ray characterization and computational studies of Cu(II) complexes of N-pyrazolyl pyrimidine", "Dalton Transactions", Volum 41, Número 36, Pàgines 11161-11169, 2012. Article.
- Barceló-Oliver, M.; Baquero, B.; Bauzà, A.; García-Raso, A.; Terrón,A.; Mata, I.; Molins, E.; Frontera, A., "Experimental and theoretical study of thymine and cytosine derivatives: the crucial role of weak noncovalent interactions", "Crystal Engineering", Volum 14, Pàgines 5777-5784, 2012. Article.
- Bauzá, A.; Quiñonero, D.; Deyà, P.M.; Frontera, A., "Pnicogen-pi complexes: theoretical study and biological implications.", "Physical Chemistry Chemical Physics", Volum 14, Número 40, Pàgines 14061-14066, 2012. Article.
- Brooker, S.; White, N.G.; Bauzá, A.; Deyà, P.M.; Frontera, A., "Understanding the Forces That Govern Packing: A Density Functional Theory and Structural Investigation of Anion-pi-Anion and Nonclassical C-H···Anion Interactions", "Inorganic Chemistry", Volum 51, Número 19, Pàgines 10334-10340, 2012. Article.
- Barceló-Oliver, M.; Baquero, B.; Bauzà, A.; García-Raso, A.; Terrón, A.; Mata, I.; Molins, E. y Frontera, A., "Experimental and theoretical study of thymine and cytosine derivatives: the crucial role of weak noncovalent interactions", "Crystengcomm", Volum 2012, Número 14, Pàgines 5777-5784, 2012. Article.
- Villalonga, P.; Fernández de Mattos, S.; Ramis, G.; Obrador-Hevia, A.; Sampedro, A.; Rotger, C.; Costa, A., "Cyclosquaramides as Kinase Inhibitors with Anticancer Activity.", "ChemMedChem", Volum 7, Número 8, Pàgines 1472-1480, 2012. Article.
- Soberats, B.; Martínez, L.; Sanna, E.; Sampedro, A.; Rotger, C.; Costa, A., "Janus-Like squaramide-based hosts: dual mode of binding and conformational transitions driven by ion-pair recognition", "Chemistry-A European Journal", Volum 18, Número 24, Pàgines 7533-7542, 2012. Article.
- Bauzá, A.; Quiñonero, D.; Deyà, P.M.; Frontera, A., "Tuning of the anion
pi interaction", "Theoretical Chemistry Accounts", Volum 131, Pàgines 1219-1231, 2012. Article. - Bauzá, A.; Quiñonero, D.; Deyà, P.M.; Frontera, A., "Estimating ring strain energies in small carbocycles by means of the Bader's theory of 'atoms-in-molecules'", "Chemical Physics Letters", Volum 536, Pàgines 165-169, 2012. Article.
- Bauzá, A.; Quiñonero, D.; Deyà, P.M.; Frontera, A., "Theoretical ab initio study of anion-pi interactions in inorganic rings", "Chemical Physics Letters", Volum 530, Pàgines 145-150, 2012. Article.
- Torres, M.; Cañellas, P.; Estarellas, C.; García-Raso, A.; Fiol, J.J.; Albertí, F.M.; Frontera, A.; Molins, E.; Mata, I.; Deyà, P.M., "Synthesis, X-ray characterization and computational Studies of N-imidazolyl and N-pyrazolyl pyrimidine derivatives", "Tetrahedron", Volum 68, Pàgines 2374-2382, 2012. Article.
- Martínez, L.; Sampedro, A.; Sanna, E.; Costa, A.; Rotger, C., "Synthesis and conformational studies of peptido-squaramide foldable modules: a new class of turn-mimetic compounds.", "Organic & Biomolecular Chemistry", Volum 10, Número 9, Pàgines 1914-1921, 2012. Article.
- Giner-Casares, J.J.; Keller, J.; Rotger, C.; Costa, A.; Brezesinsk, G., "Mechanism of action of cyclic oligosquaramides on DPPC phospholipid monolayers", "Chemphyschem", Volum 13, Número 2, Pàgines 453-458, 2012. Article.
- Delgado-Pinar, E.; Rotger, C.; Costa, A.; Piña, M.N.; Jiménez, H.R.; Alarcón, J.; García-España, E., "Grafted squaramide monoamine nanoparticles as simple systems for sulfate recognition in pure water", "Chemical Communications", Volum 48, Pàgines 2609-2611, 2012. Article.