Theoretical Studies on the Electronic Properties and the Chemical Bonding of Transition Metal Complexes using DFT and Ligand Field Theory

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 comp...

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Bibliographic Details
Main Authors: Mihail Atanasov, Claude Daul
Format: Article
Language:deu
Published: Swiss Chemical Society 2005-07-01
Series:CHIMIA
Subjects:
Online Access:https://chimia.ch/chimia/article/view/4023