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Metal-Ligand Interactions

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

  • Conference proceedings
  • © 2003

Overview

Editors:
  1. Nino Russo

    1. Dipartimento di Chimica, Università della Calabria, Arcavacata di Rende (CS), Italy

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  2. Dennis R. Salahub

    1. University of Calgary, Calgary, Canada

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  3. Malgorzata Witko

    1. Institute of Catalysis, Polish Academy of Sciences, Cracow, Poland

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Part of the book series: NATO Science Series II: Mathematics, Physics and Chemistry (NAII, volume 116)

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Table of contents (24 papers)

  1. Front Matter

    Pages i-xiii
    Download chapter PDF

  2. On the Use of Density Functional Theory in the Study of Metal-Ligand Interactions. Some Studied Cases

    • M. Belcastro, S. Chiodo, O. Kondakova, M. Leopoldini, T. Marino, M.C. Michelini et al.
    Pages 1-19

  3. Metal Binding to Prion Protein

    • R. P. Bonomo, D. Grasso, G. Grasso, V. Guantieri, G. Impellizzeri, C. La Rosa et al.
    Pages 21-39

  4. Functional Mimics of Cu, Zn- Superoxide Dismutase Enzymes

    • R.P. Bonomo, G. Impellizzeri, D. La Mendola, G. Maccarrone, G. Pappalardo, A. Santoro et al.
    Pages 41-63

  5. From Real World Catalysis to Surface Science and Back: Can Nanoscience Help to Bridge the Gap?

    • H.-J. Freund, G. Rupprechter, M. Bäumer, Th. Risse, N. Ernst, J. Libuda
    Pages 65-92

  6. Cyclopalladated Complexes: A New Class of Highly Efficient Single Component Photorefractive Materials

    • Mauro Ghedini, Iolinda Aiello, Davide Dattilo, Alessandra Crispini, Attilio Golemme, Roberto Termine
    Pages 93-106

  7. Substituted-8-Hydroxyquinolines Metal Complexes for Application in Organic Light Emitting Devices

    • Mauro Ghedini, Iolinda Aiello, Annarita Grisolia, Alessandra Crispini, Massimo La Deda
    Pages 107-119

  8. Metal Clusters and Metallicity: The Paradigm of Magnesium

    • Julius Jellinek, Paulo H. Acioli
    Pages 121-151

  9. Chemical reactivity of free and supported metal clusters

    • K. Judai, A. S. Wörz, S. Abbet, U. Heiz
    Pages 153-192

  10. Microscopic DNA fluctuations are in accord with macroscopic DNA stretching elasticity without strong dependence on force-field choice

    • John Marko, Michael Feig, B. Montgomery Pettitt
    Pages 193-204

  11. Electron Correlation: Quantum Chemistry’s Holy Grail

    • J. M. Mercero, E. Valderrama, J. M. Ugalde
    Pages 205-239

  12. What can Tell Topological Approaches on the Bonding in Transition Metal Compounds

    • B. Silvi, J. Pilme, F Fuster, M. E. Alikhani
    Pages 241-284

  13. Metal-DNA Interactions

    • T. Theophanides, J. Anastassopoulou, G. Demunno
    Pages 285-300

  14. Possible Electronic Modifications of VO-based catalysts

    • M. Witko, R. Tokarz-Sobieraj, R. Gryboś
    Pages 301-320

  15. Electronic Properties, Spectroscopic Properties and Monomolecular Isomerization Processes of Prototype OLED Compound Aluminum Tris(Quinolin-8-Olate) Facial and Meridianal Isomers

    • Mario Amati, Francesco Lelj
    Pages 321-341

  16. Molecular-Level Machines: The Clockwork Model

    • Lajos Bencze, Gyula Pályi, Robert Kurdi
    Pages 343-354

  17. DFT-Investigations of Intermediates in Catalytic Reactions

    • H. Bögel
    Pages 355-369

  18. 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

    • E. Broclawik, J. Datka, B. Gil, P. Kozyra
    Pages 371-384

  19. DFT-IET Method for Quantum-Classical Systems: Treatment of Solvated Quasiparticles

    • G.N. Chuev, M.V. Fedorov, N. Russo
    Pages 385-408

  20. Cylindrical-Wave Method in Theory of Pristine and Metal-Doped Nanotubes and Nanowires

    • P. N. D’yachkov
    Pages 409-452
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Keywords

About this book

In September 2002, a NATO-ASI was held in Cetraro (CS), Italy on the theme of "Metal-Ligand Interactions in Molecular-, Nano-, Micro-, and Macro-systems in Complex Environments". This event has followed the previous ones held in the same place in 1991, 1994 and 1998. In the present and the previous schools a broad interdisciplinary cross-section of experimental and theoretical researchers, interested in a better understanding of metal-ligand interactions from different viewpoints, was linked together to exchange experience, to review the state-of-the-art, to indicate new techniques and methods, to explore new fields and perspectives. Particular emphasis was given to the problems related with the crossing 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 school was organized around lectures and special research seminares given by leading experts in the following fields: • metal clusters • inorganic complexes and materials • surface phenomena • adsorption and catalysis • organic and bio-inorganic systems • ab initio theory • density functional theory • classical and quantum dynamics This volume contains the formal lectures and selected contributed papers and describes the main aspects and problems tackled during the 12 days of the event.

Editors and Affiliations

  • Dipartimento di Chimica, Università della Calabria, Arcavacata di Rende (CS), Italy

    Nino Russo

  • University of Calgary, Calgary, Canada

    Dennis R. Salahub

  • Institute of Catalysis, Polish Academy of Sciences, Cracow, Poland

    Malgorzata Witko

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