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...
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 |
Similar Items
-
Synthesis and structural characterization of s-triazine derivatives and their photophysical properties
by: Hessa H. Al-Rasheed, et al.
Published: (2025-01-01) -
Binuclear transition metal complexes with amino acid ligands /
by: 242779 Abdul Rahim Mohd. Yusoff, et al.
Published: (1987) -
DFT study of the effect of substituents on the absorption and emission spectra of Indigo
by: Cervantes-Navarro Francisco, et al.
Published: (2012-07-01) -
Modeling of alkynes: synthesis and theoretical properties
by: Renato Rosseto, et al.
Published: (2003-06-01) -
Challenges for density functional theory in simulating metal-metal singlet bonding: a case study of dimerized VO2
by: Zhang, Yubo, et al.
Published: (2024)