03369oam 2200613I 450 991079004540332120230725031036.00-429-13823-71-4200-6086-410.1201/b10835 (CKB)2670000000083751(EBL)709044(OCoLC)726735524(SSID)ssj0000524155(PQKBManifestationID)11327324(PQKBTitleCode)TC0000524155(PQKBWorkID)10546099(PQKB)10580445(MiAaPQ)EBC709044(Au-PeEL)EBL709044(CaPaEBR)ebr10469411(CaONFJC)MIL692645(EXLCZ)99267000000008375120180331d2011 uy 0engur|n|---|||||txtccrMetallic systems a quantum chemist's perspective /edited by Thomas C. Allison, Orkid Coskuner, Carlos A. GonzalezBoca Raton, Fla. :CRC Press,2011.1 online resource (412 p.)Description based upon print version of record.1-322-61363-X 1-4200-6077-5 Includes bibliographical references.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 PerspectiveChapter 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 CoverMetallic 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 systMetalsQuantum chemistryMetals.Quantum chemistry.669/.94Allison Thomas Clayton1126409Coskuner Orkid1543717Gonzalez Carlos A1543718MiAaPQMiAaPQMiAaPQBOOK9910790045403321Metallic systems3797303UNINA