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
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2005
Published in:
- Chimia. - 2005, vol. 59, no. 7-8, p. 504-510
density functional theory
electronic absorption and emission spectra
ligand field theory
magnetic-exchange coupling
transition metal dimer complexes
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
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- RERO DOC 5467
- DOI 10.2533/000942905777676029
- Persistent URL
- https://folia.unifr.ch/unifr/documents/299979