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1. Molecular Functional Materials: The Spring Meeting of the Swiss Chemical Society, March 10th, 2006, Department of Chemistry, University of Fribourg

2. Modelling Properties of Molecules with open d- or f-Shells Using Density Functional Theory

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3. Theoretical investigation of the bonding properties of N-heterocyclic carbenes coordinated to electron-rich d8 metal centers

4. Asymmetric μ2-1,1-azido bridged copper(II) complex: Synthesis, X-ray structure, magnetic study and DFT calculations

5. Theoretical investigation of the exciplexes

6. Phototriggered Linkage Isomerization in Ruthenium−Dimethylsulfoxyde Complexes: Insights from Theory

7. Charge Distribution in Bis-Dioxolene Radical Metal Complexes. Synthesis and DFT Characterization of Dinuclear Co(III) and Cr(III) Complexes with a Mixed-Valent, S = 1/2 Semiquinone-Catecholate Ligand

8. Ground and Excited State Properties and Vibronic Coupling Analysis of the Creutz−Taube Ion, [(NH3)5Ru-pyrazine-Ru(NH3)5]5+, Using DFT

9. Density Functional Modeling of Double Exchange Interactions in Transition Metal Complexes. Calculation of the Ground and Excited State Properties of [Fe2(OH)3(tmtacn)2]2+

10. DFT modeling of the relative affinity of nitrogen ligands for trivalent f elements: an energetic point of view

11. A theoretical characterization of covalency in rare earth complexes through their absorption electronic properties: f-f transitions

12. Electron-structure calculations and bond order analysis using density functional theory of cationic dinuclear arene ruthenium complexes

13. Exchange energy gradients with respect to atomic positions and cell parameters within the Hartree-Fock Γ-point approximation

14. Possible Ring Structures of Armchair Single-Walled Carbon Nanotubes

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

17. Ligand Field Theory: An ever-modern theory

20. Principal component analysis and DFT study of differential alkali metal cation sensing by carbonylmetal crown ether complexes