includes index

1. Chaos and Chemistry: Simple Models to Understand Chaos in Chemistry. ;
2. Reaction Network Analysis. The Kinetics and Mechanism of Water-Gas-Shift Reaction on Cu(111). ;
3. Clusters, the Intermediate State of Matter. ;
4. Computer Simulation of Fullerenes and Fullerites. ;
5. Theoretical Approaches to the Design of Functional Nanomaterials. ;
6. Methods and Implementation of Robust, High-Precision Gaussian Basis DFT Calculations for Periodic Systems: The GTOFF Code. ;
7. Many-Body Luminescence from Highly Excited ;
8. Quantum-Confined Structures. ;
9. Spin-Polarised Surfaces: Current State of Density Functional Theory Investigations. ;
10. Simulating the Structure and Reactivity of Oxide Surfaces from First Principles. ;
11. A Theory-Guided Design of Bimetallic Nanoparticle Catalysts for Fuel Cell Applications. ;
12. Supported Metal Species and Adsorption Complexes on Metal Oxides and in Zeolites: Density Functional Cluster Model Studies.