CONTENTS -- Preface -- Atomic Clusters -- Catalysis with Small Free Noble Metal Clusters T. M. Bernhardt, L. D. Socaciu, J. Hagen, D. Popolan, J. Le Roux, U. Heiz and L. Woste -- 1. Introduction -- 2. Experiment -- 3. Results and Discussion -- 3.1. Catalytic carbon monoxide oxidation by Au2 -- 3.2. Agn reactions with molecular oxygen and carbon monoxide -- Acknowledgments -- References -- Activated Diatomic Species as Important Reaction Intermediates of Nanocatalysis Y. D. Kim and G. Gantefor -- 1. Introduction -- 2. Experiments and Results -- 3. Concluding Remarks -- Acknowledgments -- References -- Relativistic Density Functional Calculations for Open-Shell Systems S. Varga, A. Rosen, J. Anton and B. Fricke -- 1. Introduction -- 2. Method -- 3. Results -- 4. Summary -- Acknowledgments -- References -- Electronic Structure and Stability of the As@Ni12@As20 and As Cages T. Baruah, R. R. Zope and M. R. Pederson -- 1. Introduction -- 2. Computational Details -- 3. Results and Discussion -- 3.1. As@Ni12@As20 -- 3.2. As cages -- 4. Summary -- Acknowledgments -- References -- Structural and Electronic Properties of CdTe Clusters J. Rufinus -- 1. Introduction -- 2. Computational Method -- 3. Results and Discussions -- 3.1. Atomic Structure -- 3.2. Stability and the Magic Number -- 3.3. Electronic Structure: HOMO-L UMO gap -- 4. Conclusion -- Acknowledgement -- References -- Spin Excitations Induced by Projectile in Ferromagnetic Cluster R.-J. Tarento, P. Joyes, R. Lahreche and D. E. Mekki -- 1. Introduction -- 2. The Heisenberg Hamiltonian -- 3. Results for Small Linear Cluster -- 4. Conclusions -- Acknowledgements -- References -- Time-Dependent Charge Dynamics in C60 and a Proposal for Nanostructure-based Computing Technology G. P. Zhang, T. F. George and D. A. Jelski -- 1. Introduction -- 2. Time-Reversal Invariance in Ultrafast Dynamics.

3. Charge Dynamics in C60 -- 4. A Proposal for Nanostructure Based Computing Technology -- References -- Molecular Dynamics Study of Iron Cluster Coalescence at Sub-Melting Point Temperatures F. Ding, K. Bolton and A. Rosen -- 1. Introduction -- 2. Potential Energy Surface and Simulation Methods -- 3. Results and Discussion -- 4. Conclusion -- Acknowledgments -- References -- Using Ideal PES Model to Study Kinetics of Complex System J. Lu and R. S. Berry -- 1. Introduction -- 2. Construction of Master Equation -- 3. Relaxation on a Simple Ideal PES Model and Its Sample PES's -- 3.1. Constructing Full and Sample PES -- 3.2. Results -- 4. Relaxation on a More Complicated Ideal PES Model and Its Sample PES's -- 4.1. Constructing Full and Sample PES -- 4.2. Results -- 5. Conclusions -- References -- The Z=82 Shell Effect Near the Proton Drip-Line C. Samanta and S. Adhikari -- Reference -- Organic and Molecular Clusters -- Fundamental Cluster Studies of Materials and Atmospheric Chemistry 81 D. P. Hydutsky, D. E. Bergeron, T. E. Dermota, J. R. Stairs, K. L. Knappenberger, Jr., K. M. Davis, C. E. Jones, Jr., M. A. Sobhy, N. J. Bianco, S. J. Peppernick and A. W. Castleman, Jr. -- 1. Introduction -- 2. Delayed Ionization -- 3. Novel Cluster Materials -- 4. Solvation -- 5. Conclusion -- Acknowledgements -- References -- Excited State Charge Transfer and Dissociation of Mg+-CH3I Complex F. Misaizu, A. Furuya, H. Tsunoyama and K. Ohno -- 1. Introduction -- 2. Experimental Setup and Calculation -- 3. Results and Discussion -- 3.1. Photodissociation Spectrum -- 3.2. Geometrical Structure and Electronic States of Mg+-CH3I -- 3.3. Dissociation Processes -- Acknowledgments -- References -- Catalysis.

Fabrication of Two-Dimensional and Three-Dimensional Platinum Nanoclusters to Serve as High Technology Catalysts-Catalysts Capable of 100% Reaction Selectivity G. A. Somorjai, R. M. Rioux and J. Grunes -- Abstract -- 1. Catalysis in the 21st Century: 100% Selectivity for All Catalyst-Based Processes -- 2. Molecular Ingredients of Catalytic Activity and Selectivity -- 3. Fabrication of High Technology Catalysts: 2-Dimensional and 3- Dimensional Catalysts Toward 100% Selectivity -- 3.1 Fabrication and Characterization of 2-D Catalysts -- 3.2 Fabrication and Characterization of 3-D Catalysts -- Acknowledgments -- References -- Elucidating Mechanistic Details of Catalytic Reactions Utilizing Gas Phase Clusters M. L. Kimble, D. R. Justes, N. A. Moore and A. W. Castleman, Jr. -- 1. Introduction -- 2. Experimental Methods -- 3. Results and Discussion -- 3.1. The Reactivity of Gas-Phase Gold Clusters for the Oxidation of CO -- 3.2. Reactions of Propylene with VxOy+ and NbxOy+ -- 4. Summary -- Acknowledgments -- References -- Computational Study of Metal Adsorption on TiO2 (110) Surface R. G. S. Pala, T. N. Truong and F. Liu -- 1. Introduction -- 2. Computational Methodology and Description of the Physical Model -- 3. Results and Discussions -- A. Adsorption energetics at OSML coverage using GGA functional -- B. Comparisons of metal adsorption energetics at 0.5 ML and IML coverage -- C. Adsorption trends obtained using GGA and LDA functional at IML coverage -- D. Effect of spin-polarization -- 4. Conclusions -- References -- Quantum Dots/Rings -- Quantum Dots and Quantum Dot Lattice: Correlations in Small Quantum Systems M. Borgh, M. Toreblad, S. Aberg, S. M. Reimann, M. Koskinen and M. Manninen -- 1. Introduction -- 2. The Tanatar-Ceperley and AMGB Functionals -- 3. Comparative Study -- 4. Electronic Structure of Quantum Dot Lattices.

5. Summary and Conclusions -- References -- Single Josephson Junctions as Qubits J. R. Anderson, A. J. Berkley, A. J. Dragt, S. Dutta, M. Go'rska, M. A. Gubrud, P. R. Johnson, C. J. Lobb, R. C. Ramos, F. W. Strauch, F. C. Wellstood and H. Xu -- 1. Introduction -- 2. Experiment -- Acknowledgements -- References -- On the Absence of Kondo Resonance for Co Dimers on a Cu (I I I) Surface J.-L. Helfer, F. A. Reuse and S, N. Khanna -- 1. Introduction -- 2. Method of Calculation -- 3. Results and Discussions -- 4. Concluding Remarks -- Acknowledgments -- References -- Energy Spectrum, Persistent Current and Electron Localization in Quantum Rings M. Manninen, P. Koskinen, M. Koskinen, P. S. Deo, S. M. Reimann and S. Viefers -- 1. Introduction -- 2. Energy Spectra: Rotational and Vibrational States -- 3. Periodicity of the Persistent Current -- Acknowledgements -- References -- Nano-Wires and Tubes -- Gadolinium Nanowire Growth on High-Index Silicon Surfaces E. Morris, J. W. Dickinson, M. L. Willis and A. A. Baski -- 1. Introduction -- 2. Experimental Procedure -- 3. Results -- 3.1. Gd/Si(001) -- 3.2. GUSi(113) -- 3.3. Cd/Si(5 5 12) -- 4. Summary -- References -- The Effect of Functionalization on Double-Walled Nanotube Materials S. J. V. Frankland, G. M. Odegard and T. S. Gates -- 1. Introduction -- 2. Molecular Modeling -- 2.1. Young's Modulus -- 2.2. Pull-through of the Inner Nanotube -- 3. Results and Discussion -- 3.1. Young's Modulus -- 3.2. Pull-through -- 4. Conclusions -- Acknowledgment -- References -- Spectroscopy-Based Characterization of Single Wall Carbon Nanotubes M. Namkung, J. S. Namkung, B. Wincheski, J. Seo and C. Park -- 1. Introduction -- 2. Experiments -- 3. Results and Discussion -- 4. Summary and Conclusion -- References.

Assembly and Application of Carbon Nanotube Fibrils with Controlled and Variable Lengths by Dielectrophoresis J. Tang, G. Yang, J. Zhang, H. Geng, B. Gao, L.-C. Qin, O. Zhou and O. D. Velev -- 1. Introduction -- 2. Experimental -- 3. Results and Discussions -- 3.1 Single-walled carbon nanotube fibrils -- 3.2 Multi-walled carbon nanotube fibrils -- 3.3 Application of carbon nunotube fibrils -- 4. Conclusions -- Acknowledgments -- References -- Magnetic Properties -- The Magnetism of the Polymerized C60 Materials A. N. Andriotis and M. Menon -- 1. Introduction -- 2. Common Features of Carbon- and Non-Carbon-Based Non-Metallic Ferromagnets -- 3. Magnetic C60 Polymers -- 4. Discussion and Conclusions -- Acknowledgments -- References -- Building High Performance Magnetic Materials Out of Gas Phase Nanoclusters C. Binns, S. H. Baker, S. Louch and S. C. Thornton -- 1. Introduction -- 2. Experimental -- 2.1. Cluster Production -- 2.2. X-Ray Magnetic Circular Dichroism (XMCD) -- 2.3. Magnetometry Measurements -- 3. Isolated Cluster Properties -- 3.1. Exposed Clusters on Surfaces in UHV -- 3.2. Co-Coated Clusters on Surfaces -- 3.3. Isolated Fe and Co Clusters in Ag Matrices -- 4. Interacting Clusters -- 4.1. Cluster-Cluster Interfaces in Interacting Cluster Films -- 4.2. Orbital and Spin Moments in Interacting Cluster Films -- 4.3. Macroscopic Magnetic Properties of Interacting Cluster Assemblies -- Acknowledgements -- References -- Magnetic Field Effects on Thermal Fluctuations of Cluster Magnetic Moments K. Desai, S. D. Mahanti and S. N. Khanna -- 1. Introduction -- 2. The Model -- 2.1 Magnetizations -- 3. Results -- 3.1. Monte Carlo Simulations (local spin rotations) -- 3.2. Monte Carlo Simulations (with local & global spin rotations) -- 4. Discussions -- References.

Magnetic and Thermal Properties of Interacting (Mn,N) Clusters H. Khang, S. D. Mahanti, B. K. Rao and P. Jena.