News of the Electronic Structure Group

Proposed Works for Future Researchers

  • Theoretical Study of Magnetic Properties of Molecular Systems using DFT methods
    Contact: Dr. Eliseo Ruiz, Dr. Pere Alemany

  • Theoretical Study of Magnetic Properties: Spin Crossover and Coupling
    Contact: Dr. Eliseo Ruiz, Dr. Pere Alemany, Prof. Santiago Alvarez

  • Electronic Structure of Alkali Hydrides and Related Compounds in Solid State
    Contact: Dr. Pere Alemany, Prof. Santiago Alvarez

  • Analysis of the Electronic Structure of Supramolecular Inorganic Chemistry: Compounds of Intercalation in Graphite
    Contact: Dr. Eliseo Ruiz, Prof. Santiago Alvarez

  • Detection and Characterization of Weak Interactions in Organic Crystals using Topology Analysis of the Electronic Density
    Contact: Dr. Pere Alemany, Prof. Juan J. Novoa

  • Molecular Orbitals of Compounds with Low Coordinations Numbers: Coordinative Insaturation and PI-bonding
    Contact: Dr. Gabriel Aullón, Prof. Santiago Alvarez

  • Others Subjects Your Are Interesting
    Contact: Any Member of the Group

    • Conferences of Invited Scientific People

  • Prof. Claire A. Tessier (University of Akron, Ohio, U.S.A.)
    Platinum-Silicon Rings
    April 15th, 1999 (12:15 - BCN)

  • Prof. Paul R. Sharp (University of Missouri-Columbia, Missouri, U.S.A.)
    Late Transition Metal Oxo, Imido, and Related Complexes
    July 1st, 1999 (12:15 - BCN)

  • Dr. Roi Baer (The Hebrew University, Jerusalem, Israel)
    Quantum Chemistry using auxiliary MonteCarlo Plane Waves
    Setember 7th, 1999 (12:00 - BCN)

  • Dr. Fabrizia Fabrizi de Biani (Universitá degli Studi di Siena, Siena, Italy)
    Prussian Blues Analogues: a Tour around Recent Aquisitions on Interesting 3D Magnetic Systems
    October 21st, 1999 (12:15 - BCN)

  • Dr. Joan Cano (Université de Paris-Sud, Orsay, France)
    Classical Spin MonteCarlo Approach ti Simulate the Magnetic Properties of S = 5/2 Networks and High-nuclearity Systems
    December 2nd, 1999 (12:15 - BCN)

  • Dr. Fabrizia Fabrizi de Biani (Universitá degli Studi di Siena, Siena, Italy)
    Intramolecular Electron Transfer in [WV(CN)8][PtII(NH3)4]2(NO3): the Environment Effect. A TDDFT Study
    December 14th, 2000 (19:00 - BCN)

  • Mr. Antonio Rodríguez-Fortea (Ph.D. Lecture)
    Prediction of Magnetic Coupling Constants in Binuclear Compounds of Transition Metals
    January 19th, 2001 (12:00 - BCN)

  • Ms. Ana A. Palacios (Ph.D. Lecture)
    Metal-Metal Interactions in Binuclear Compounds and High Dimensionality Systems
    October 26th, 2001 (12:00 - BCN)

  • Dr. Gabriel Aullón (Inorganic Sessions)
    Electronic Structure of M2X2 Rings: Toward the Activation/Generation of O2
    January 17th, 2002 (12:00 - BCN)

  • Mr. Guillaume Champion (Université Pierre et Marie Curie, Paris, France)
    X-ray Absortion Spectroscopy and X-ray Magnetic Circular Spectroscopy Dichroism: Two Local Probes for the Understanding of Macroscopic Properties
    January 25th, 2002 (12:00 - BCN)

  • Prof. Roald Hoffmann (Cornell University, Ithaca, New York, U.S.A.)
    Electron-Rich Multicenter Bonding in Molecules and Extended Structures
    December 20th, 2002 (12:00 - BCN)

  • Mr. Gopalan Rajaraman (The University of Manchester, Manchester, United Kingdom)
    EPR and DFT Calculations of Polymetallic Cages
    April 8th, 2003 (15:15 - BCN)

  • Prof. Michel Verdaguer (Université Pierre et Marie Curie, Paris, France)
    Molecular Magnetism: toward Multifunctional Systems and Devices (Playing with Molecules, Orbitals, Spins and Photons)
    May 7th, 2003 (12:05 - BCN)

    • Future Members

      Are you interested in collaborating with our group? Contact us

     
     

    Last update on July 25th 2003