Metal-Ligand Interactions

Molecular, Nano-, Micro-, and Macro-systems in Complex Environments

AvN. Russo,Dennis R. Salahub

Häftad, Engelska, 2003

Del i serien NATO Science Series II: Mathematics, Physics and Chemistry

3 168 kr

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Beskrivning

The emphasis in this volume is on problems related to crossing the boundary from molecular systems to nano, macro and micro-scale materials and to the effects of the environment on the properties of the molecular systems. The following fields are discussed: metal clusters; inorganic complexes and materials; surface phenomena; adsorption and catalysis; organic and bioorganic systems; ab initio theory; density functional theory; and classical and quantum dynamics. The book presents a broad view of theoretical, experimental and applied findings in all fields in which the metal-ligand interaction plays a significant role.

Produktinformation

Utgivningsdatum:2003-12-31
Mått:160 x 240 x 33 mm
Vikt:963 g
Format:Häftad
Språk:Engelska
Serie:NATO Science Series II: Mathematics, Physics and Chemistry
Antal sidor:595
Förlag:Kluwer Academic Publishers
ISBN:9781402014956

Utforska kategorier

Innehållsförteckning

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.