Facultad de Química C/ Profesor García González, s/n 41012 - Sevilla |
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Facultad de Farmacia
Dr. D. Manuel Balón Almeida
Dr. D. Manuel María Domínguez Pérez
Dra. Dª. Manuela Rueda Rueda
Dr. D. Francisco Sánchez Burgos
Dr. D. Enrique Sánchez Marcos
Dr. D. Rafael Andreu Fondecabe
Dr. D. Juan José Calvente Pacheco
Dra. Dª. María Carmen Carmona Guzmán
Dr. D. Javier Fernández Sanz
Dr. D. Manuel Galán Vioque
Dr. D. Domingo González Arjona (Secretario del Departamento)
Dra. Dª. María Mar Graciani Constante
Dra. Dª. María Pilar Guardado Villau
Dr. D. José Hidalgo Toledo (Director del Departamento)
Dr. D. Alfredo Maestre Álvarez
Dr. D. Antonio Marcial Márquez Cruz
Dr. D. Miguel Molero Casado
Dra. Dª. María Luisa Moyá Morán
Dra. Dª. María Asunción Muñoz Pérez
Dra. Dª. Pilar Pérez Tejeda
Dr. D. Francisco Prieto Dapena
Dr. D. Rafael Rodríguez Pappalardo
Dra. Dª. María Amalia Rodríguez Rodríguez
Dr. D. Emilio Roldán González
Dr. D. Cayetano Yanes Durán
Dra. Dª. Carmen Jiménez Calzado
Dr. D. Rafael Jiménez Sindreu
Dra. Dª. Pilar López Cornejo
Dr. D. Germán López Pérez
Dr. D. José Manuel Martínez Fernández
Dra. Dª. María Muñoz Pérez
Dra. Dª. Inmaculada Navarro Zafra
Dr. D. Jaime Oviedo López
Dr. D. Rafael Prado Gotor
Dr. D. Miguel Ángel San Miguel Barrera
Dª. Regla Ayala Espinar
D. Norge Cruz Hernández
Dr. D. Patrick Merkling
D. Victor Manuel Molina Romo
Dª. Nadia Taoufik
Dr. D. Antonio Sánchez Murillo
D. Francisco Miguel Torrico Perdomo
Dª. Consolación Álvarez Saavedra
D. Fco. Javier Escamilla Jiménez
D. Miguel A. Guerra Aguilar-Galindo
D. Manuel Pineda Díaz
Presupuesto General | 33.818,28 € |
Programas de Doctorado | 3.425,33 € |
Ayuda para Prácticas | 7.813,16 € |
Plan Propio de la Universidad de Sevilla | 7.813,16 € |
Responsable: M. Balón
Componentes: M.C. Carmona, M. Galán, P. Guardado, J. Hidalgo, M.A. Muñoz
Financiación:
Responsable: M. Domínguez
Componentes: R. Andreu, J.J. Calvente, D. González Arjona, M. Molero, E. Roldán, G. López-Pérez, V.M. Molina
Financiación:
Responsable: M.L. Moyá
Componentes: M.M. Graciani, A. Rodríguez, M. Muñoz, G. Fernández(*)
Financiación:
Responsable: M. Rueda
Componentes: F. Prieto, I. Navarro
Financiación:
Grupo Interdepartamental con el Dpto. Química Inorgánica(1).
Responsable: E. Sánchez- Marcos
Componentes: A. Muñoz-Paez(1), R.R. Pappalardo, J.M. Martínez, F. Carrera(1), J.I. Fernández(1), R Ayala, PJ Merkling, N. Taoufik, F.M. Torrico
Financiación:
Responsable: F. Sánchez
Componentes: P. Pérez-Tejeda, R. Jiménez, P. López-Cornejo, R. Prado, A. Sánchez, R. de la Vega(*), M. López(*), F. Muriel(*), F. Pérez-Vigueras(*)
Financiación:
Grupo Interdepartamental con el Dpto. Cristalografía, Mineralogía y Química Agrícola(1).
Responsable: J. Fdez. Sanz
Componentes: M.A. Álvarez(1), A. Márquez, C.J. Calzado, J. Oviedo, M.A. San Miguel, N. Cruz
Financiación:
Responsable: A. Maestre
Componentes: C. Yanes
Financiación:
"Estudio de reacciones químicas con participación de complejos pentacianoferrato(II)"
Doctorando: Gaspar Fernández García
Directores: Moyá, M.L. y Graciani, M.M.
Calificación: Sobresaliente cum laude, Departamento de Química Física, Univ. de Sevilla, 14 de enero.
Moyá, M.L., Fernández, G., Graciani, M.M., Rodríguez, A., Muñoz, M.: "Inorganic substitution reactions in aqueous surfactant solutions". En: Encyclopedia of Surface and Colloid Science. Coords./Eds.: A. Hubbard. pp. '2541-2549'. Marcel Dekker, Inc. 2001. ISBN/D.L.: 0-8247-0633-1.
Moyá, M.L., Muñoz, M., Rodríguez, A., Graciani, M.M., Fernández, G.: "Study of the dehydrochlorination reactions in micellar solutions". En: Handbook of Surfaces and Interfaces of Materials. Coords./Eds.: H. S. Nalwa. pp. '427-464'. Academic Press. 2001. ISBN/D.L.: 0-12-513910-1.
Ayala, R, Sánchez- Marcos, E., Díaz-Moreno, S., Solé, V. A., Muñoz, A.: "Geometry and Hydration Structure of Pt(II) Square Planar Complexes [Pt(H2O)4]2+ and [PtCl4]2- as studied by X-ray Absorption Spectroscopies and Quantum-Mechanical Computations". J. Phys. Chem. B. Vol. 105. 2001. pp. 7588-7593.
Benko. J., Burgess, J., López-Cornejo, P., Vollárová, O.: "Activation volumes for peroxodisulphate oxidation of low-spin iron(II) complexes in aqueous salt solutions". Croatica Chemica Acta. Vol. 74. 2001. pp. 607-620.
Calvente, J.J., Andreu, R., González, L., Gil, M.L.A., Mozo, J.D., Roldán, E.: "Formation and reductive desorption of mercaptohexanol monolayers on mercury". Journal of Physical Chemistry B. Vol. 105. 2001. pp. 5477-5488.
Calvente, J.J., Andreu, R., Molero, M., López-Pérez, G., Domínguez, M.: "Influence of spatial redox distribution on the electrochemical behavior of electroactive self-assembled monolayers". Journal of Physical Chemistry B. Vol. 105. 2001. pp. 9557-9568.
Calzado, C.J., Malrieu, J. P.: "Ab initio determination of an extended Heisenberg Hamiltonian in CuO2 layers". Eur. Phys. J. B. Vol. 21. 2001. pp. 375-381.
Calzado, C.J., Malrieu, J.P.: "Proposal of an extended t-J Hamiltonian for high-Tc cuprates from ab initio calculations on embedded clusters". Phys. Rev. B. Vol. 63. 2001. pp. : 214520-214533.
Carmona, M.C., Balón, M., Galán, M., Angulo, G., Guardado, P., Muñoz, M.A.: "Kinetic Study of Hydrogen Bonded Exciplex Formation of N9-methyl Harmane". Journal of Physical Chemistry A. Vol. 105. 2001. pp. 10334-10338.
Chaboy, J., Muñoz, A., Díaz-Moreno,S.: "Geometrical structure of yttrium and metal-bromine complexes in solution: Limitations of extended X-ray absorption fine structure analysis (EXAFS)". Chem-Eur. J. Vol. 7. Num. 5. 2001. pp. 1102-1108.
Costa, S.M.B., López-Cornejo, P., Togashi, D.M., Laia, C.A.T.: "Photoinduced electron transfer in non-aqueous microemulsions". Journal of Photochemistry and Photobiology A-Chemistry. Vol. 142. 2001. pp. 151-161.
Cruz, N., Fdez. Sanz, J.: "Molecular Dynamics Simulations of Pd Deposition on the a-Al2O3 (0001) Surface.". J. Phys. Chem. B. Vol. 105. 2001. pp. 12111-12117.
Cruz, N., Fdez. Sanz, J.: "A first principles Density Functional study of Au deposition on TiN (001) surface". Int. J. Mol. Sci. Vol. 2. 2001. pp. 263-270.
Dupuis M., Márquez, A.: "The Rys quadrature revisited: a novel formulation for the efficient computation of electron repulsion integrals over Gaussian functions". J. Chem. Phys. Vol. 114. 2001. pp. 2067-2078.
Giordano, L., Pacchioni, G., Bredow , T., Fdez. Sanz, J.: "Cu, Ag, and Au atoms adsorbed on TiO2(110): cluster and periodic calculations.". Surf. Sci. Vol. 471. 2001. pp. 21-31.
González Arjona, D., López-Pérez, G., González, A.G.: "Holmes, a program for performing procrustes transformations". Talanta. Vol. 57. 2001. pp. 133-137.
Graciani, M.M., Rodríguez, A., Muñoz, M., Moyá, M.L.: "Study of the reaction 2-(p-nitrophenyl)ethyl bromide + OH- in sulfobetaine aqueous micellar solutions in the presence and absence of added salts". J. Colloid. Interf. Sci. Vol. 235. 2001. pp. '260-264'.
Graciani, M.M., Rodríguez, A., Muñoz, M., Moyá, M.L.: "Study of the reaction Fe(CN)4(bpy)2- + S2O82- in sulfobetaine aqueous micellar solutions". Int. J. Chem. Kinet. Vol. 33. 2001. pp. '225-231'.
León-Camacho, M., Ruiz-Mendez, M. V., Graciani, M.M., Graciani-Constante, E.: "Kinetics of cis-trans isomerization of linoleic acid in the deodorization and/or physical refining of edible fats". Fett-Lipid. Vol. 103. 2001. pp. '85-92'.
López-Cornejo, P., Sánchez, F.: "Micellar effects on the kinetics of the oxidation of the excited state of the [Ru(bpy)3]2+ complex by (S2O8)2-. A comparison of different approaches for the interpretation of micellar effects on kinetics.". Journal of Physical Chemistry B. Vol. 105. 2001. pp. 10523-10527.
López-Pérez, G., Andreu, R., González Arjona, D., Molero, M., Calvente, J.J.: "Application of unequal distances of closest approach theory to the analysis of double-layer effects on Zn(II) reduction at a mercury electrode". Journal of Physical Chemistry A. Vol. 105. 2001. pp. 9156-9165.
Martínez, J.M., Elmroth, S. K., Kloo, L.: "Influence of sodium ions on the dynamics and structure of single-stranded DNA oligomers: a molecular dynamics study". J.Am.Chem.Soc. Vol. 123. 2001. pp. 12279-12289.
Mennucci, B., Martínez, J.M., Tomasi, J.: "Solvent effects on nuclear shieldings: Continuum or discrete solvation models to treat hydrogen bond and polarity effects?". J. Phys. Chem. A. Vol. 105. 2001. pp. 7287-7296.
Merkling, PJ, Muñoz, A., Martínez, J.M., Pappalardo, R.R., Sánchez- Marcos, E.: "Molecular-Dynamics-based Investigation of Scattering Path Contributions to the EXAFS Spectrum: The Cr3+ Aqueous Solution Case". Phys. Rev. B. Vol. 64. 2001. pp. 0122011-012201-4.
Merkling, PJ, Muñoz, A., Pappalardo, R.R., Sánchez- Marcos, E.: "Combination of XANES Spectroscopy and Molecular Dynamics to Probe the Local Structure in Disordered Systems". Phys. Rev. B. Vol. 64. 2001. pp. 0922011-0922014.
Molero, M., Andreu, R., González, D., Calvente, J.J., López-Pérez, G.: "An isotropic model for micellar systems: Application to sodium dodecyl sulfate solutions". Langmuir. Vol. 17. 2001. pp. 314-322.
Mozo, J.D., Galán, M., Roldán, E.: "Application of light emitting diodes to chemical analysis: Determination of copper in water". Journal of Chemical Education. Vol. 78. Num. 3. 2001. pp. 355-357.
Mulder W.H., Calvente, J.J., Andreu, R.: "A kinetic model for the reductive desorption of self-assembled thiol monolayers". Langmuir. Vol. 17. 2001. pp. 3273-3280.
Muñoz de Miguel, E, Yanes, C., Maestre, A.: "Mixing Enthalpies of Alkylureas with Electrolytes in Water at 298.15 K.". J. Chem. Eng. Data. Vol. 46. Num. 2. 2001. pp. 423-427.
Muñoz, M.A., Sama, O., Galán, M., Guardado, P., Carmona, M.C., Balón, M.: "Hydrogen bonding NH/pi interactions between betacarboline and methyl benzene derivatives". Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy. Vol. 57. 2001. pp. 1049-1056.
Navarro, I., Rueda, M., Prado,C, Francois, H, Buess-Herman, C: "Kinetics of condensation of adenine at the mercury/electrolyte interface". Journal of Electroanalytical Chemistry. Vol. 500. Num. 1. 2001. pp. 356-364.
Oviedo, J.: "Saturation versus inductive effects: the electrochemistry of the C70Ph2n (n=1-5) series". J. Chem. Soc. Perk. T. 2. Vol. 2. 2001. pp. 140-145.
Oviedo, J.: "Photophysical properties of the ground and triplet states of four multiphenylated [70] fullerene compounds". Phys. Chem. Chem. Phys. Vol. 2. 2001. pp. 109-114.
Oviedo, J., Gillan, M. J.: "First-principles study of the interaction of oxygen with the SnO2 (110) surface". Surf. Sci. Vol. 490. 2001. pp. 221-236.
P. Neto-Ponce, Sánchez, F., Pérez-Vigueras, F., A. García-Santana, Pérez-Tejeda, P.: "Salt, Solvent, and Micellar effects on the Intervalence Transition within the Binuclear Complex Pentaamineruthenium(III)-(mu-cyano) pentacyanoiron (II). An Estimation of rate Constant from Static (Optical and Electrochemical) Data". Langmuir. Vol. 16. 2001. pp. 980-987.
Pérez-Tejeda, P., Franco, F.-J., Sanchez, A., Morillo, M., Denk, C., Sánchez, F.: "Experimental and Simulation Studies of the Electron Transfer Reaction between [Ru(NH3pz]2+ and [Co(C2O4)3]3-". Physical Chemistry Chemical Physics. Vol. 3. 2001. pp. 1271-1276.
Pérez-Tejeda, P., Neto-Ponce, P., Sánchez, F.: "Salt effects on the electron transfer transition within the binuclear complex [(NH3)5RuIII(mu-CN)FeII(CN)5]-". Journal of the Chemical Society-Dalton Transactions. 2001. pp. 1686-1691.
Prado, R., Jiménez, R., Pérez-Tejeda, P., López, M., Sánchez, F.: "Electron Transfer Reactions in micellar systems: separation of the true (unimolecular) electrontransfer rate constant in its component". Chemical Physics. Vol. 263. 2001. pp. 139-148.
Rabaa, H., Hoffmann, R., Cruz, N., Fdez. Sanz, J.: "Theoretical Approach to Ionic Conductivity in Phosphorus Oxynitride Compounds". Journal of Solid State Chemistry. Vol. 161. 2001. pp. 73-79.
Rodríguez, A., Graciani, M.M., Muñoz, M., Moyá, M.L.: "Influence of the nature of the cation on the reaction DDT+ OH- in sulfobetaine aqueous micellar solutions in the presence of added salts". Langmuir. Vol. 17. 2001. pp. '1860-1863'.
Rodríguez, A., Muñoz, M., Graciani, M.M., Fernández, G., Moyá, M.L.: "Study of the reaction 1-methoxi-4(methylthio)benzene + IO4- :Importance of medium micellar effects". New J. Chem. Vol. 25. 2001. pp. '1084-1090'.
Rueda, M., Navarro, I., Prado, C., Silva, C.: "'Impedance study of Tl(I) reduction at gramicidin-modified dioleylphosphaticylcholine-coated mercury electrodes. II Influence of gramicidin contration and the nature of the supporting electrolyte". Journal of the Electrochemical Society. Vol. 148. Num. 1. 2001. pp. 1-10.
San Miguel, M.A., Calzado, C.J., Fdez. Sanz, J.: "Modeling alkali metal atoms deposition on TiO2 (110) surface from first principles calculations". J. Phys. Chem. B. Vol. 105. 2001. pp. 1794-1798.
San Miguel, M.A., Rodger, P. M.: "Simulation of deposition of wax to iron oxide surfaces". Mol. Simulat. Vol. 26. 2001. pp. 193-216.
Secco, F., Venturini, M., López, M., Pérez-Tejeda, P., Prado, R., Sánchez, F.: "Effect of DNA on the rate of electron transfer reactions between non-intercalated reactants: kinetic study of the reactions [Ru(NH3)5pz]2+ + [Co(C2O4)3]3- and [Ru(NH3)5py]2+ + [Co(NH3)4pzCO2]2+ in aqueous solutions in the presence of DNA". Physical Chemistry Chemical Physics. Vol. 3. 2001. pp. 4412-4417.
Betti, M, Márquez, A.J., Yanes, C., Maestre, A.: "Structure and Function of Glutamine Synthetase from Higher Plants. Studies by ITC". ISBC XII. Soc. Int. de Calorimetría Biológica. Santiago de Compostela (España). Calorimetry. A Tool in Health and Environmental Studies. pp. 120. Servicio de Publicaciones de la Universidad de Santiago de Compostela. 2001. ISBN/D.L.: 84-8121-895-2.
Calvente, J.J., Andreu, R., González, L., Gil, M.L.A., Mozo, J.D., Molero, M.: "Formation and reductive desorption of mercaptohexanol monolayers on mercury". VI Encontro Ibérico de Electroquímica. Portuguese Electrochemical Society. Oporto (Portugal). Actas congreso. pp. O-D14. Portuguese Electrochemical Society. 2001.
Calzado, C.J.: "Magnetismo y transferencia electrónica en sistemas polinucleares.". Congrès des Chimistes Théoriciens d'Expression Latine. CHITEL 2001. IRSAMC. Universite Paul Sabatier. Toulouse (France). 2001.
Calzado, C.J., Malrieu, J.P.: "Magnétisme, transfert de charge et répulsion de trous dans les cuprates supraconducteurs". Colloque Oxydes à Propriétés Remarquables.Ordre de spins, ordre de charges et .. CNRS. Bombannes (France). 2001.
Carmona, M.C., Ghanem, R., Balón, M., Muñoz, M.A., Guardado, P., Galán, M.: "Oxidación química y fotoquímica de la tetrahidrobetacarbolina". V Congreso de Fotoquímica. Grupo de Fotoquímica de la RSEQ. V Congreso de Fotoquímica. pp. 94. Dpto. Química Orgánica, Facultad de Ciencias, Univ. de Málaga. 2001. ISBN/D.L.: 84-699-4690-0.
Cruz, N., Fdez. Sanz, J.: "DFT and Molecular Dynamics Calculations of Pd Deposition on the a-Al2O3 (0001) Surface". XXVIII Reunión Bienal de la Real Sociedad Española de Física y 11º Encuentro Ibé. Facultad de Fisica. . Universidad de Sev. Sevilla. 2001.
Cruz, N., Fdez. Sanz, J.: "DFT and Molecular Dynamics Study of the ScN, TiN and VN Materials". 222nd American Chemical Society Meeting. American Chemical Society Meeting. Chicago, USA. 2001.
Cruz, N., Fdez. Sanz, J.: "A First Principle Study of the Cu Deposition on the a-Al2O3 (0001) Surface". Density Functional Theory for the Study of Complex Oxides. The Royal Institution of Great Britain. Londres, Inglaterra. 2001.
Fdez. Sanz, J.: "DFT calculations and MD simulations of transition metal deposition on metal oxide surfaces.". EURESCO Conference on Fundamental Aspects of Surface Science. ESF. San Feliu de Guixols. 2001.
Fdez. Sanz, J., Cruz, N.: "DFT calculations and MD classical simulations of transition metal deposition on metal oxide surfaces.". International Conference on: DFT methods and metal oxides. The Royal Institution of Great Britain. Londres. 2001.
Fdez. Sanz, J., Cruz, N.: "Deposición de metales sobre un soporte. Análisis de la interacción (DFT) y estructura de la interfase (DM).". Congrès des Chimistes Théoriciens d'Expression Latine, CHITEL 2001. IRSAMC-Université Paul Sabatier. Toulouse. 2001.
Fernández, G., Graciani, M.M., Rodríguez, A., Muñoz, M., Moyá, M.L.: "Influence of changes in the interfacial electrical potential on a ligand substitution reaction in aqueous sodium dodecyl sulfate micellar solutions". FRIS´01. Universidad de Versalles. Versalles (Francia). Book of Abstracts FRIS 2001. pp. 'P24'. Universidad de Versalles. 2001.
Galán, M., Carmona, M.C., Guardado, P., Muñoz, M.A., Balón, M.: "Interacciones por puente de hidrógeno del 1-azacarbazol con diferentes amidas en el estado fundamental y excitado". V Congreso de Fotoquímica. Grupo de Fotoquímica de la RSEQ. Torremolinos. V Congreso de Fotoquímica. pp. 49. Dpto. Química Orgánica, Facultad de Ciencias, Univ. de Málaga. 2001. ISBN/D.L.: 84-699-4690-0.
López-Cornejo, P., Sánchez, F.: "Micellar effects on the kinetics of the oxidation of the excited state of the [Ru(bpy)3]2+ complex by S2O82-". XII Italian-Spanish Congress on Thermodynamics of Metal Complexes (ISMEC 2001). Parma (Italia). 2000.
López-Pérez, G., González Arjona, D., Molero, M.: "Influencia de la temperatura en los coeficientes de actividad de disoluciones de electrolitos". VI Encontro Ibérico de Electroquímica. Portuguese Electrochemical Society. Oporto (Portugal). Actas del congreso. pp. OA-3. Portuguese Electrochemical Society. 2001.
Márquez, A.: "First principles studies of nitrogen incorporation on some group 13 mixed phosphates. Effects on structure and basicity". Fundamental Aspects of Surface Science. ESF. San Feliu de Gixols (Gerona). 2001.
Márquez, A.: "A new algorithm for the parallel computation of the second derivatives of the RHF energy. Application and performance analysis on some distributed computers". V Girona Seminar on Molecular Similarity. Universidad de Gerona. Gerona (España). 2001.
Molina, V.M., Montiel, V., Domínguez, M., Aldaz, A.: "Electrochemical reductive dechlorination of carbon tetrachloride to chloroform in mild conditions using graphite electrodes". Workshop on Electrochemistry and interfacil Chemistry in environmental clean-up. IUPAC. Coimbra (portugal). Actas Congreso. pp. 19-19. IUPAC. 2001.
Rueda, M.: "Electrochemical double Layer". Interfacial electrochemistry and electrocatalysis. Universidad de Ulm. Ulm, Alemania. 2000.
Rueda, M., Prado, C, Prieto, F., Navarro, I.: "Adsorption of adenine on Au(111), Au(100) and Au(110) electrodes". 9th International Conference on Electrified Interfaces. Nova Scotia, Canadá. pp. L50. 2000.