Metallic systems : a quantum chemist's perspective /

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"Metallic systems are ubiquitous in daily life. They play key roles, for example, in the chemistry of many biomolecules, ionic solutions, nanoparticles and catalytic processes. They may be in solid, liquid or gaseous form. The interactions of other molecules with metal surfaces are of considera...

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Bibliographic Details
Call Number:Libro Electrónico
Other Authors: Allison, Thomas Clayton, Coskuner, Orkid, González, Carlos A. (Carlos Alberto), 1957-
Format: Electronic eBook
Language:Inglés
Published: Boca Raton, Fla. : CRC Press, 2011.
Subjects:
Metals.
Chemical bonds.
Biomolecules.
Quantum chemistry.
Metals
Métaux.
Biomolécules.
Chimie quantique.
metal.
Biomolecules
Chemical bonds
Quantum chemistry
Online Access:Texto completo
Table of Contents:
  • Chapter 1. First Principles DFT Studies of Metal-Based Biological and Biomimetic Systems
  • Chapter 2. Structural and Thermodynamic Studies of a-Synuclein Proteins Related to Parkinson's Disease: Impact of Aqueous Solution
  • Chapter 3. Carbohydrate and Trivalent Iron Ion Interactions in the Gas Phase and in Aqueous Solution
  • Chapter 4. Aqueous Solutions of Metal Ions
  • Chapter 5. Structure of Liquid Metal Surfaces: A First Principles Perspective
  • Chapter 6. Some Practical Considerations for Density Functional Theory Studies of Chemistry at Metal Surfaces
  • Chapter 7. Computational Investigations of Metal Oxide Surfaces
  • Chapter 8. Tight Binding Methods for Metallic Systems
  • Chapter 9. Density Functional Calculations of Metal Clusters: Structure, Dynamics, and Reactivity
  • Chapter 10. Density Functional Theory Calculations on Cobalt and Platinum Transition Metal Clusters
  • Chapter 11. Exploring the Borderland between Physics and Chemistry: Theoretical Methods in the Study of Atomic Clusters.

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