Química supramolecular (SUPRAMOL)
Publicacions en revistes
- García-Raso, A.; Albertí, F.M.; Fiol, J. J.; Lagos, Y.; Torres, M.; Molins, E; Mata, I.; Estarellas, C.; Frontera, A.; Quiñonero, D.; Deyà, P.M., "A combined experimental and theoretical study of anion-PI interactions in N6- and N9-decyladenine salts.", "European Journal of Organic Chemistry", Pàgines 5171-5180, 2010. Article.
- Barceló-Oliver, M.; Estarellas, C.; García-Raso, A.; Terron, A.; Frontera, A.; Quiñonero, D.; Mata, I.; Molins, E.; Deyà, P.M., "Experimental and theoretical study of uracil derivatives: the crucial role of weak fluorine-fluorine noncovalent interactions.", "Crystengcomm", Volum 12, Pàgines 3758-3767, 2010. Article.
- Estarellas, C.; Lucas, X.; Frontera, A.; Quiñonero, D.; Deyà, P.M., "Erroneous behaviour of the widely used MP2(full)/aug-cc-pVXZ (X = D, T) level of theory for evaluating the BSSE in ion-pi complexes", "Chemical Physics Letters", Volum 489, Número 4-6, Pàgines 254-258, 2010. Article.
- Biswas, S.; Naiya, S.; Drew, M.G.B.; Estarellas, C.; Frontera, A.; Ghosh, A., "Trinuclear and tetranuclear adduct formation between sodium perchlorate and copper(II) complexes of salicylaldimine type ligands: structural characterization and theoretical investigation", "Inorganica Chimica Acta", Volum 366, Pàgines 219-226, 2010. Article.
- Naiya, S.; Drew, M.G.B.; Estarellas, C.; Frontera, A.; Ghosh, A., "Hydrogen-bond assisted stabilization of the less favored conformation of a tridentate Schiff base ligand in dinuclear nickel(II) complex: An experimental and theoretical study", "Inorganica Chimica Acta", Volum 363, Número 14, Pàgines 3904-3913, 2010. Article.
- Mashraqui, S.H.; Betkar, R.; Chandiramani, M.; Poonia, K.; Quinonero, D. y Frontera, A., "New 1,8-naphthyridine-based probes for the selective fluorescence signalling of toxic cadmium: synthesis, photophysical studies and molecular modelling", "Supramolecular Chemistry", Volum 22, Número 9, Pàgines 524-531, 2010. Article.
- Das, A.; Choudhury, Somnath R.; Dey, B.; Yalamanchili, S. K.; Helliwell, M.; Gamez, P.; Mukhopadhyay, S.; Estarellas, C.; Frontera, A., "Supramolecular assembly of Mg(II) complexes directed by associative lone pair-pi/pi-pi/pi-anion-pi/pi-lone pair interactions", "Journal of Physical Chemistry B", Volum 114, Número 15, Pàgines 4998-5009, 2010. Article.
- Hazra, S.; Sarkar, B.; Naiya, S.; Drew, M. G. B.; Frontera, A.; Escudero, D.; Ghosh, A., "Self-Assembled Molecular Complexes and Coordination Polymers of CdII, Hexamine, and Monocarboxylates: Structural Analysis and Theoretical Studies of Supramolecular Interactions", "Crystal Growth & Design", Volum 10, Número 4, Pàgines 1677-1687, 2010. Article.
- Ortiz, M.I.; Soriano, M.L.; Carranza, M.P.; Jalón, F.A.; Steed, J.W.; Mereiter, K.M Rodríguez, A.M.; Quiñonero, D.; Deyà, P.M.; Manzano, B.R., "New [2x2] copper (I) grids as anion receptors. Effect of ligand functionalization on the ability to host counterions by hydrogen bonds.", "Inorganic Chemistry", Volum 49, Número 19, Pàgines 8828-8847, 2010. Article.
- Alkorta, I.; Blanco, F.; Deyà, P.M.; Elguero, J.; Estarellas, C.; Frontera, A.; Quiñonero, D., "Cooperativity in multiple unusual weak bonds", "Theoretical Chemistry Accounts", Volum 126, Número 1-2, Pàgines 1-14, 2010. Article.
- Estarellas, C.; Lucas, X.; Frontera, A.; Quiñonero, D.; Deyà, P.M., "Erroneous behaviour of the widely used MP2(full)/aug-cc-pVXZ (X=D,T) level of theory for evaluating the BSSE in ion-pi complexes", "Chemical Physics Letters", Volum 114, Número 4, Pàgines 1926-1930, 2010. Article.
- Escudero, D.; Estarellas, C.; Frontera, A.; Quiñonero, D.; Deyà, P.M., "Cooperativity effects between non-covalent interactions: are they important for Z-DNA stability?", "Chemical Physics Letters", Volum 485, Número 1-3, Pàgines 221-225, 2010. Article.
- Quiñonero, D.; Deyà, P.M.; Carranza, M.P.; Rodríguez, A.M.; Jalón, F.A.; Manzano, B.R., "Experimental and computational study of the interplay between C-H/pi and anion-pi interactions.", "Dalton Transactions", Volum 39, Número 3, Pàgines 794-806, 2010. Article.
- Sanna, E.; Martínez, L.; Rotger, C.; Blasco, S.; Gonzalez, J.; Garc?a-España, E.; Costa, A., "Squaramide-Based reagent for selective chromogenic Sensing of Cu(II) through a Zwitterion radical", "Organic Letters", Volum 12, Número 17, Pàgines 3840-3843, 2010. Article.
- García-Raso, A.; Fiol, J.J.; Albertí, F.M.; Lagos, Y.; Torres, M.; Barceló-Oliver, M.; Prieto, M.J.; Moreno, V.; Mata, I.; Molins, E.; Estarellas, C.; Frontera, A.; Quiñonero, D. y Deyà, P.M., "New Chlorido(dimethyl sulfoxide)iridium(III) Complexes with N6?Substituted Adenines ¿ Kinetic N(7) versus Thermodynamic N(9) Coordinated Adenine Isomers", "European Journal of Inorganic Chemistry", Volum 2010, Número 36, Pàgines 5617-5628, 2010. Article.
- García-Raso, A.; Fiol, J. J.; Albertí, F.M.; Lagos, Y.; Torres, M.; Barceló-Oliver, M.; Prieto, M.J.; Moreno, V.; Mata, I.; Molins, E; Estarellas, C.; Frontera, A.; Quiñonero, D. y Deyà, P.M., "New chlorido(dimethyl sulfoxide)iridium (III) complexes with N(6)-adenine substituted adenines- kinetic N(7) versus thermodynamic N(9) coordinated adenine isomers", "European Journal of Inorganic Chemistry", Volum 2010, Número 36, Pàgines 5617-5628, 2010. Article.
- García-Raso, A.; Fiol, J.J.; Albertí, F.M.; Lagos, Y.; Torres, M.; Barceló-Oliver, M.; Prieto, M.J.; Moreno, V.; Mata, I.; Molins, E.; Estarellas, C.; Frontera, A.; Quiñonero, D. ; Deyà, P.M., "New Chlorido(dimethyl sulfoxide)iridium(III) complexes with N(6)-substituted adenines - Kinetic versus thermodynamic N(9) coordinated adenine isomers", "European Journal of Inorganic Chemistry", Volum 2010, Número 36, Pàgines 5617-5628, 2010. Article.
- Mashraqui, S.H.; Betkar, R.; Chandiramani, M.; Quiñonero, D.; Frontera, A., "A novel fluoride selective optical chemosensor based on internal charge transfer signaling", "Tetrahedron Letters", Volum 51, Pàgines 596-599, 2010. Article.
- Quiñonero, D.; Kaledin, A.L.; Kuznetsov, A.E.; Geletii, Y.V; Besson, C.; Hill, C.L.; Musaev, D.G., "Computational Studies of the Geometry and Electronic Structure of an All-Inorganic and Homogeneous Tetra-Ru-Polyoxotungstate Catalyst for Water Oxidation and Its Four Subsequent One-Electron Oxidized Forms", "Journal of Physical Chemistry A", Volum 114, Pàgines 535-542, 2010. Article.
- Barceló-Oliver, M.; Estarellas, C.; García-Raso, A.; Terrón, A.; Frontera, A.; Quiñonero, D.; Molins, E.; Deyà, P.M., "Lone pair-pi vs pi-pi interactions in 5-fluoro-1-hexyluracil and 1-hexyluracil: a combined crystallographic and computational study.", "Crystengcomm", Volum 12, Número 2, Pàgines 362-365, 2010. Article.