Química supramolecular (SUPRAMOL)
Publicacions en revistes
- David Quiñonero, Keiji Morokuma, Djamaladdin Musaev, Rubén Mas-Balleste, Lawrence Que Jr., "Metal-Peroxo versus Metal-Oxo Oxidants in Non-Heme Iron-Catalyzed Olefin Oxidations: Computational and Experimental Studies on the Effect of Water.", "Journal of the American Chemical Society", Volum 127, Número 18, Pàgines 6548-6549, 2005. Article.
- Espinosa, A.; Frontera, A.; García, R.; Soler, M. A.; Tárraga, A., "Electrophilic Behavior of 3-Methyl-2-methylthio-1,3,4-thiadiazolium Salts: A Multimodal Theoretical Approach.", "Arkivoc", Volum 2005, Número Part(ix), Pàgines 415-437, 2005. Article.
- Wallace, K.J.; Morey, J.; Lynch, V. M.; Anslyn, E.;, "Colorimetric Detection of Chemical Warfare Simulants", "New Journal of Chemistry", Volum 29, Número 11, Pàgines 1469-1474, 2005. Article.
- Wallace, K.J.; Hanes, R.; Anslyn, E.; Morey, J.; Kilway, K.V.; Siegel, J.;, "Preparation of 1,3,5,-tris(aminomethyl)-2,4,6-triethylbenzene from two versatile 1,3,5-tri(halo-substituted)-2,4,6-triethylbenzene derivatives.", "Synthesis-Stuttgart", Volum 12, Pàgines 2080-2083, 2005. Article.
- Quiñonero, D.; Garau, C.; Frontera, A.; Costa, A.; Ballester, P.; Deyà, P. M., "Approximate Additivity of Anion-pi Interactions: An Ab Initio Study on anion-pi, anion-pi2 and anion-pi3", "Journal of Physical Chemistry A", Volum 109, Pàgines 9341-9345, 2005. Article.
- Frontera, A.; Saczewski, F.; Gdaniec, M.; Dziemidowicz-Borys, E.; Kurland, A.; Deyà, P. M.; Quiñonero, D.; Garau, C., "Anion-pi interactions in cyanuric acids. A combined crystallographic and computational study", "Chemistry-A European Journal", Volum 11, Pàgines 6560-6567, 2005. Article.
- Quiñonero, D.; Frontera, A.; Garau, C.; Ballester, P.; Costa, A.; Deyà, P. M., "Ab Initio Investigations of Lithium Insertion in Boron and Nitrogen-Doped Single-Walled Carbon Nanotubes", "Chemical Physics Letters", Volum 411, Número -, Pàgines 256-261, 2005. Article.
- P. Ballester, A. Costa, P. M. Deyà, A. Frontera, R. M. Gomila, J. K. M. Sanders, A. I. Oliva, C. A. Hunter, "Self-assembly, Binding and Dynamic Properties of Heterodimeric Porphyrin Macrocycles.", "Journal of Organic Chemistry", Volum 70, Número -, Pàgines 6616-6622, 2005. Article.
- David Quiñonero, Carolina Garau, Antonio Frontera, Pablo Ballester, Antoni Costa, Pere M. Deyà., "Structure and Binding Energy of Anion-pi and Cation-pi Complexes: A Comparison of MP2, RI-MP2, DFT, and DF-DFT Methods.", "Journal of Physical Chemistry A", Volum 109, Pàgines 4632-4637, 2005. Article.
- Quiñonero, D.; Frontera, A.; Garau, C.; Ballester, P.; Costa, A.; ; Deyà, P. M.; Pichierri, F., "Counterintuitive affinity of [2.2]paracyclophane to cations", "Chemical Physics Letters", Volum 408, Pàgines 59-64, 2005. Article.
- Frontera, A.; Orell, M.; Garau, C.; Quiñonero, D.; Molins, E.; Mata, I.; Morey, J., "Preparation, Solid-State Characterization, and Computational Study of a Crown Ether Attached to a Squaramide.", "Organic Letters", Volum 7, Pàgines 1437-1440, 2005. Article.
- Frontera, A.; Garau, C.; Quiñonero, D.; Ballester, P.; Costa, A.; Deyà, P. M., "Unexpected Binding Affinity of [2.2]Paracyclophane to Cations", "Internet Electronic Journal of Molecular Design", Volum 4, Número 4, Pàgines 264-269, 2005. Article.
- Frontera, A.; Garau, C.; Quiñonero, D.; Ballester, P.; Costa, A. y Deyà, P.M., "A Theoretical Ab Initio Study of the Capability of Several Binding Units for the Molecular Recognition of Anions", "European Journal of Organic Chemistry", Volum 2005, Número 1, Pàgines 179-183, 2005. Article.
- Ballester, P.; Costa, A.; Castilla A.M.; Deyà, P.M.; Gomila R.M.; Frontera, A. y Hunter, C.A., "DABCO?Directed Self?Assembly of Bisporphyrins (DABCO=1,4?Diazabicyclo[2.2.2]octane)", "Chemistry-A European Journal", Volum 11, Número 7, Pàgines 2196-2206, 2005. Article.