Antonio Flores Riveros TESIS DIRIGIDAS EN PROCESO 1. Candidato: Alejandro Rodríguez Juárez, Programa: Maestría en Ciencia de Materiales (2010-), Título: “Análisis de la interacción del Nanotubo de Nitruro de boro con Quitosan: Efectos del Dopaje y Vacancias.” 2. Candidato: Carlos Tepech Carrillo, Programa: Doctorado en Ciencia de Materiales (2011-), Título:“Análisis de la Estructura Cristalina y Molecular de Compuestos de la Familia 1,4-Dihidropiridina.” PUBLICACIONES 1. L. W. Bruch, O. Novaro and A. Flores, J. Chem. Phys. 67, 2371-2374 (1977). “Nodal Structure of the Three-Body Nonadditive Interaction." 2. M. Berrondo and A. Flores-Riveros, Int. J. Quant. Chem. 13, 391-410 (1978). “A Simplified Model for the Predissociation of Diatomic Molecules." 3. M. Berrondo and A. Flores-Riveros, J. Chem. Phys. 72, 6299-6302 (1980). “Approximate Exchange Energy as a Functional of the Electron Density. Light Atoms." 4. M. E. Ruiz, A. Flores-Riveros and O. Novaro, J. Catal. 64, 1-12 (1980). “On Carbon Monoxide Insertion Reactions: A Molecular Orbital Analysis of the Reaction Pathway." 5. A. Flores-Riveros and O. Novaro, J. Organometal. Chem. 235, 383-393 (1982). “A Theoretical Study of the Elimination Process of Methane from a Platinum Complex." 6. N. Correia, A. Flores-Riveros, H. Agren, K. Helenelund, L. Asplund and U. Gelius, J. Chem. Phys. 83, 2035-2052 (1985). “Theory of Band Shape Formation in Auger and Autoionization Spectra of Molecules. Numerical Applications and New High-Resolution Spectra of CO." 7. A. Flores-Riveros, N. Correia, H. Agren, L. Pettersson, M. Backstrom and J. Nordgren, J. Chem. Phys. 83, 2053-2059 (1985). “Lifetime Vibrational Interference E®ects in the Ultra-Soft X-ray Emission Spectrum of CO." 8. P. Froelich, A. Flores-Riveros and W. Weyrich, J. Chem. Phys. 82, 2305-2312 (1985). “Nonrelativistic Compton Scattering in Furry's Picture. II. Bethe Surface by Means of the Complex Coordinate Method." 9. A. Flores-Riveros, H. Agren, R. Brammer and H. J. Aa. Jensen, J. Chem. Phys. 85, 6270-6275 (1985). “A Diabatic Model for Photoionization. Application to the Inner Valence X-ray Photoelectron Spectrum of Acetylene." 10. H. Agren, A. Flores-Riveros and H. J. Aa. Jensen, Phys. Rev. A 34, 4606-4614 (1986). “Evaluation of First- and Second-Order Nonadiabatic Coupling Elements from Large Multicon¯gurational Self-Consistent-Field Wave Functions." 11. H. Agren, N. Correia, A. Flores-Riveros and H. J. Aa. Jensen, Int. J. Quant. Chem. Symp. 19, 237-246 (1986). “Direct Restricted-Step MC-SCF Calculations on the Structure and Spectrum of Cyclobutadiene." 12. P. Froelich and A. Flores-Riveros, J. Chem. Phys. 84, 6732-6737 (1986). “Two-Photon Ionization of Atomic Systems Treated by Means of the Complex Coordinate Method." 13. P. Froelich and A. Flores-Riveros, J. Chem. Phys. 86, 2674-2679 (1987). “Inelastic Electron Scattering from Atomic Targets. Bethe Surface for Helium." 14. J. Morales and A. Flores-Riveros, J. Math. Phys. 30, 393-397 (1989). “The Generalization of the Binomial Theorem." 15. H. Agren, A. Flores-Riveros and H. J. Aa. Jensen, Phys. Scr. 40, 745-750 (1989). “An Efficient Method for Calculating Molecular Radiation Intensities in the VUV and Soft X-ray Wavelength Regions." 16. G. Bravo, A. Flores-Riveros and O. Novaro, Int. J. Quant. Chem. 37, 785796 (1990). “A CI Pseudopotential-based Description of the Low-Lying States of AgO2." 17. H. Agren and A. Flores-Riveros, J. Elec. Spect. Rel. Phen. 56, 259-271 (1991). “Methanol: A Critical Test of Intensity Models for Molecular Soft X-ray Emission." 18. A. Flores-Riveros and H. Agren, Phys. Scr. 44, 442-445 (1991). “Calculations of X-ray Fluorescence of CO and CO2." 19. P. Froelich, A. Flores-Riveros and S. Alexander, Phys. Rev. A 46, 2330-2336 (1992). “Fusion Rates from Resonant States of tdmu. " 20. P. Froelich and A. Flores-Riveros, Phys. Rev. Lett. 70, 1595-1598 (1993). “Effects of Intramolecular Dynamics on Nuclear Fusion Rates and Sticking from Resonant States of the Molecular Ion dtmu." 21. P. Froelich and A. Flores-Riveros, Hyperfine Interactions 82, 225-239 (1993). “Nuclear Fusion and Sticking from Resonant States of dtmu." 22. A. Beltran, S. Bohm, A. Flores-Riveros, J. A. Igualada, G. Monrós, J. Andrés, V. Luaña and A. Martín-Pendás, J. Phys. Chem. 97, 2555-2559 (1993). “Ab initio Cluster-in-the-Lattice Description of Vanadium-Doped Zircon. Analysis of the Impurity Centers V4+:ZrSiO4." 23. P. Froelich, A. Flores-Riveros, J. Wallenius and K. Szalewicz, Phys. Lett. A 189, 307-315 (1994). “Fusion in Flight from the Molecular Continuum of dtmu." 24. A. Beltrán, A. Flores-Riveros, J. Andrés, V. Luaña and A. Martín-Pendás, J. Phys. Chem. 98, 7741-7744 (1994). “Local Relaxation Effects in the Crystal Structure of Vanadium-Doped Zircon. An Ab Initio Perturbed Ion Calculation." 25. J. Andrés, A. Beltrán, S. Bohm, A. Flores-Riveros, J. A. Igualada, J. B. L. Martins, G. Monrós, V. Luaña and A. Martín-Pendás, Anales de Física 90, 181-186 (1994). “Ab initio Cluster-in-the-Lattice Calculations of the Impurity Centers V4+:ZrSiO4." 26. A. Flores-Riveros, Int. J. Quant. Chem. 66, 287-300 (1998). “Generalized Hylleraas-Gaussian Basis Sets Applied to the Variational Treatment of Twoelectron Atoms." 27. J. F. Rivas-Silva, A. Flores-Riveros, A. Ayuela and M. Berrondo, J. Mater.Sci. 11, 150-156 (1998). “Atom-in-the-lattice Description of Ce+3 Impurity Centers in Alkaline-earth Fluorides." 28. R. Cárdenas, J. Lagúnez-Otero and A. Flores-Riveros, Int. J. Quant. Chem. 68, 253-259 (1998). “An Ab Initio Study of the Reaction Mechanism of Water Dissociation into the Ionic Species OH¡ and H3O+." 29. A. Flores-Riveros and J. F. Rivas-Silva, Braz. J. Phys. 29, 529-540 (1999). “Variational description of the 3-body Coulomb problem through a correlated Eckart-Gaussian wavefunction." 30. A. Flores Riveros, La Ciencia y el Hombre XI, No. 33 (SeptiembreDiciembre), 9-26 (1999). “Descripción variacional de sistemas atómicos de dos electrones por medio de funciones de Slater y Hylleraas conteniendo factores Gaussianos." 31. J. F. Rivas-Silva, L. Rodríguez-Merino, M. Berrondo and A. Flores-Riveros, Int. J. Quant. Chem. 77, 785-790 (2000). “Ab initio Calculations for Absorption and Emission Energies of Alkali Halide Crystals Doped with Thallium." 32. A. V. Turbiner, J. C. López and A. Flores-Riveros, e-print: arXiv:astroph/0010080 v2, 0-10 (2000). “Ion H+2 can dissociate in a strong magnetic field." 33. A. V. Turbiner, J. C. López and A. Flores-Riveros, Pis'ma ZhETF, 73, 196-199 (2001); JETP letters (English Translation), 73, 176-179 (2001). “Ion H+2 can dissociate in a strong magnetic field." 34. A. V. Turbiner, J. C. López and A. Flores-Riveros, e-print: arXiv:astroph/0107596 v3, 1-31 (2002). “H+2 ion in a strong magnetic field: Lowest gerade and ungerade electronic states." 35. E. Chigo-Anota, A. Flores-Riveros y J. F. Rivas-Silva, Superficies y Vacío, 14, 7-11 (2002). “Estructura Electrónica del Usb: I. Un Estudio ESOCS, FPLAPW y LMTO-ASA." 36. N. Aquino, A. Flores-Riveros and J. F. Rivas-Silva, Phys. Lett. A, 307/5-6, 326-336 (2003). “The compressed helium atom variationally treated via correlated Hylleraas wave function." 37. E. Chigo-Anota, J. F. Rivas-Silva, A. Bautista-Hernández y A. Flores-Riveros, Superficies y Vacío, 16(1), 17-21 (2003). \Estructura Electrónica del compuesto intermetálico CeFeGe3." 38. J. F. Rivas-Silva, A. Flores-Riveros and M. Berrondo, Int. J. Quant. Chem., 94, 105-112 (2003). “DFT study of 1-D Li6Gd(BO3)3." 39. J. F. Rivas-Silva, A. Flores-Riveros, S. Durand-Niconoff and N. Aquino, Int. J. Quant. Chem., 97(3),815-825 (2004). \Ab initio analysis of some fluoride and oxide structures doped with Pr and Yb." 40. N. Aquino, G. Campoy and A. Flores-Riveros, Int. J. Quant. Chem.,103, 267277 (2005). “Accurate energy eigenvalues and eigenfunctions for the twodimensional con¯ned hydrogen atom." 41. E. Chigo-Anota, A. Flores-Riveros and J. F. Rivas-Silva, Int. J. Mod. Phys. B, 20(3), 287-301 (2006). “LSDA+U approximation-based analysis of the electronic structure of CeFeGe3." 42. N. Aquino, Jorge Garza, A. Flores-Riveros, J. F. Rivas-Silva and K. D. Sen, J. Chem. Phys., 124, 054311 (2006). “ConFIned helium atom low-lying S-states analyzed through correlated Hylleraas wave functions and the Kohn-Sham model." 43. A. Flores-Riveros and A. Rodríguez-Contreras, Phys. Lett. A, 372, 6175-6182 (2008). “Compression effects in helium-like atoms (Z = 1,...,5) constrained by hard spherical walls." 44. H. Hernández-Cocoletzi, Gregorio H. Cocoletzi, J. F. Rivas-Silva, A. Flores and Noboru Takeuchi, Journal of Nano Research, 5, 25-30 (2009).”Density Functional Study of the Structural Properties of Copper Iodide: LDA vs GGA Calculations." 45. A. Blanca-Romero, A. Flores-Riveros and J. F. Rivas-Silva, Journal of Nano Research, 9, 25-30 (2010).”Structure Study of ZnO:Eu with the Supercell Method." 46. A. Flores-Riveros, N. Aquino and H. E. Montgomery, Jr. Phys. Lett. A, 374, 1246-1252 (2010).”Spherically compressed helium atom described by perturbative and variational methods." 47. H. E. Montgomery, Jr., N. Aquino and A. Flores-Riveros, Phys. Lett. A, 374, 2044-2047 (2010). “The ground state energy of a helium atom under strong con¯nement." 48. F. M. Fernández, N. Aquino and A. Flores-Riveros, Int. J. Quant. Chem., in press (2011). “Variational approach to the confined hydrogen atom with a moving nucleus." MEMORIAS EN CONGRESOS 1. J. M. Ferreira, A. Flores, J. Valle and O. Novaro, Proceedings of the 8th Iberoamerican Symposium of Catalysis, La Rábida, Spain, pp 420429, 1982. “A Study of the Adsorption Mechanism of Ethylene on Oxychlorination Catalysis." 2. S. Edvardsson, M. Wolf, M. Zendejas, J. Thomas and A. Flores-Riveros, Proceedings of the 2nd International Europhysics Conference on Computational Physics, Amsterdam, Holland, pp 348-352, Aug. 1990. “Molecular Dynamics Simulation Applied to the Study of Optical Absorption Spectra for Nd2O3." 3. A. Palma, J. F. Rivas-Silva and A. Flores-Riveros, W. F. Wall et al. (eds.), Millimeter-Wave Astronomy: Molecular Chemistry & Physics in Space, pp 379-404 (1999 Kluwer Academic Publishers. Printed in the Netherlands). ”On the Calculation of Rotational Constants of Interstellar Molecules." 4. E. Chigo-Anota, A. Flores-Riveros, J. F. Rivas-Silva y A. Bautista-Hernández, Memorias del V Taller Nacional de Física y Ciencia de Materiales para Estudiantes de Posgrado, pp 131-136, 2003 (Publicadas por la Dirección General de Fomento Editorial-BUAP, Editores: F. Pérez Rodríguez, J. A. Méndez Bermúdez y C. Romero Salazar). “Estudio preliminar de la estructura electrónica del compuesto CeFeGe3"