Thesis & Projects

 

Masters Ph. D. Thesis Projects

Masters
 
  • "Theoretical Study of the Coordination Modes and Fluxionality of Trithiopentalene with Gold-chloride Fragment"
    Mr. Eliseo Ruiz (Defense: February 1991; Supervisor: Prof. Santiago Alvarez)

  • "Orbital Study and Structural Analysis of the Metal-Metal Interactions in Rodium(II) Compounds"
    Mr. Gabriel Aullón (Defense: January 1992; Supervisor: Prof. Santiago Alvarez)

  • "Orbital Study and Through-ring Bonding in [ML4(µ-XRn)]2 Compounds"
    Ms. Ana A. Palacios (Defense: April 1995; Supervisor: Dr. Pere Alemany and Prof. Santiago Alvarez)

  • "Electronic Structure and Bonding in Transition Metal Polyphosphides"
    Mr. Miquel Llunell (Defense: April 1995; Supervisor: Dr. Pere Alemany)

  • "Electronic Structure, Electrical Properties and Chemical Bonding in Delafossite-type Oxides"
    Mr. Antonio Buljan (Defense: May 1996; Supervisor: Dr. Pere Alemany)

  • "Electronic Structure of the Intercalation of Metallocenes in Metal Sulphides and Selenides"
    Ms. Anna Ibarz (Defense: April 1997; Supervisor: Dr. Eliseo Ruiz and Prof. Santiago Alvarez)

  • "Theoretical Study of the Magnetic Coupling in Binuclear Compounds of Pentacoordinate Copper(II) having Cyanide Bridge"
    Mr. Antonio Rodríguez-Fortea (Defense: February 1998; Supervisor: Dr. Pere Alemany)
    		•

    Ph. D. Thesis
     
  • "Electronic Structure, Bonding and Properties on Inorganic Chains and Solids"
    Mr. Pere Alemany (Defense: July 1991; Supervisor: Prof. Santiago Alvarez)

  • "Weak Interactions in Solid State"
    Mr. Eliseo Ruiz (Defense: November 1993; Supervisor: Prof. Santiago Alvarez)

  • "Metal-Metal Interactions in Dimers and Chains"
    Mr. Gabriel Aullón (Defense: December 1995; Supervisor: Prof. Santiago Alvarez)

  • "Electronic Structure and Bonding in Ternaries Oxides of the Delafossite Family"
    Mr. Antonio Buljan (Defense: March 1998; Supervisor: Dr. Pere Alemany)

  • "Computer Code for the Study of the Electronic Structure in Periodic Systems Using Semiempirical Methods"
    Mr. Miquel Llunell (Defense: December 1998; Supervisor: Dr. Pere Alemany)

  • "Prediction of Magnetic Coupling Constants in Binuclear Compounds of Transition Metals"
    Mr. Antonio Rodríguez-Fortea (Defense: January 2001; Supervisor: Dr. Pere Alemany)

  • "Metal-Metal Interactions in Binuclear Compounds and High Dimensionality Systems"
    Ms. Ana A. Palacios (Defense: October 2001; Supervisor: Dr. Pere Alemany and Prof. Santiago Alvarez)

  • "Bonding and Stereochemistry in Monovalent Compounds of Cu, Ag and Au"
    Ms. M. Angels Carvajal (Defense: April 2004; Supervisor: Prof. Santiago Alvarez and Prof. Juan J. Novoa)

  • "Shape and Symmetry Measures in Chemistry: Algorithms and Applications"
    Mr. David Casanova (Defense: June 2006; Supervisor: Dr. Pere Alemany)

  • "Shape Measures, Stereochemistry and Electronic Structure in Transition Metal Compounds"
    Mr. Jordi Cirera (Defense: December 2006; Supervisor: Dr. Eliseo Ruiz and Prof. Santiago Alvarez)
    		•

    Projects
     
  • Financial Sources
    Ministerio de Educación y Ciencia (1985 - ...)
    Generalitat de Catalunya (1995 - ...)

  • Supercomputing Sources
    Centre de Supercomputació de Catalunya (1993 - ...)
    Centre de Paral·lelisme de Barcelona (1995 - ...)
    Barcelona Supercomputing Center (2006 - ...)

  • Specialized Associations of Research
    Xarxa Temàtica de Química Teòrica (1994 - ...)
    Centre de Recerca en Química Teòrica (1999 - ...)
    		•

    Last update on September 22th 2006