Metal-Ligand Interactions

On the Use of Density Functional Theory in the Study of Metal-Ligand Interactions. Some Studied Cases.- Metal binding to prion protein.- Functional Mimics of Cu, Zn-Superoxide Dismutase Enzymes.- From Real World Catalysis to Surface Science and Back: Can Nanoscience Help to Bridge the Gap?.- Cyclopalladated Complexes: a New Class of Highly Efficient Single Component Photorefractive Materials.- Substituted-8-hydroxyquinolines Metal Complexes for Application in Organic Light Emitting Devices.- Metal Clusters and Metallicity: the Paradigm of Magnesium.- Chemical Reactivity of Free and Supported Metal Clusters.- Microscopic DNA Fluctuations Are in Accord with Macroscopic DNA Stretching Elasticity Without Strong Dependence on Force-field Choice.- Electron Correlation: Quantum Chemistry's Holy Grail.- What Can Tell Topological Approaches on the Bonding in Transition Metal Compounds.- Metal-DNA interactions.- Possible Electronic Modifications of VO-based Catalysts.- Electronic Properties, Spectroscopic Properties and Monomolecular Isomerization Processes of Prototype Oled Compound Aluminium Tris(quinolin-8-olate) Facial and Meridianal Isomers.- Molecular-Level Machines: the Clockwork Model.- DFT-Investigations of Intermediates in Catalytic Reactions.- Molecular Modelling of Copper Sites in ZSM-5: DFT and IR Studies on the Properties of Cu2+ and Cu+ Centres and Their Interaction with NO.- DFT-IET Method for Quantum-Classical Systems: Treatment of Solvated Quasiparticles.- Cylindrical Wave Method in Theory of Pristine and Metal-Doped Nanotubes and Nanowires.- Charge Transfer in DNA-Metal-Ligand Complexes. Polynucleotides.- DFT Based Reactivity Descriptors and Their Application to the Study of Organotin Compounds.- Recent Research Results in the Laboratory of InorganicChemistry of the University of Ioannina-Greece.- The Hydrogen Bonding in DNA vs. Unnatural Base Pairs.- Charge Transfer in DNA-Metal-Ligand Complexes. Oligonucleotides.- List of Participants.