Metallic systems : a quantum chemist's perspective / / edited by Thomas C. Allison, Orkid Coskuner, Carlos A. Gonzalez

• Pubblicazione: Boca Raton, Fla. : , : CRC Press, , 2011
• Descrizione fisica: 1 online resource (412 p.)
• Disciplina: 669/.94
• Soggetto topico: Metals; Quantum chemistry
• Altri autori: AllisonThomas Clayton CoskunerOrkid GonzalezCarlos A
• Note generali: Description based upon print version of record.
• Nota di bibliografia: Includes bibliographical references.
• Nota di contenuto: Front Cover; Contents; Introduction; Contributors; 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 Solut; 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 SurfacesChapter 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; Back Cover
• Sommario/riassunto: 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 considerable importance. Each of these topics is addressed in Metallic Systems. As we have entered the age where theoretical approaches are sufficiently mature to complement and guide experiments in many areas, an understanding of the theoretical tools and approaches to studying metallic syst
• Titolo autorizzato: Metallic systems
• ISBN: 0-429-13823-7; 1-4200-6086-4
• Formato: Materiale a stampa
• Livello bibliografico: Monografia
• Lingua di pubblicazione: Inglese
• Record Nr.: 9910790045403321
• Lo trovi qui: Univ. Federico II