Journal article

Theoretical studies on the electronic properties and the chemical bonding of transition metal complexes using dft and ligand field theory

  • Atanasov, Mihail Department of Chemistry, University of Fribourg, Switzerland
  • Daul, Claude A. Department of Chemistry, University of Fribourg, Switzerland
    2005
Published in:
  • Chimia. - 2005, vol. 59, no. 7-8, p. 504-510
English The research activity within our laboratory of computational chemistry at the University of Fribourg is presented. In this review, a brief outline of a recently proposed Ligand Field Density Functional Theory (LFDFT) model for single nuclear and its extension to dimer transition metal complexes is given. Applications of the model to dinuclear complexes are illustrated for the... Show more…
Faculty
Faculté des sciences et de médecine
Department
Chimie
Language
  • English
Classification
Chemistry
License
License undefined
Identifiers
Persistent URL
https://folia.unifr.ch/unifr/documents/299979