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100   $a20180331d2011      uy             0
101 0 $aeng
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181   $ctxt
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200 00$aMetallic systems $ea quantum chemist's perspective /$fedited by Thomas C. Allison, Orkid Coskuner, Carlos A. Gonzalez
210  1$aBoca Raton, Fla. :$cCRC Press,$d2011.
215   $a1 online resource (412 p.)
300   $aDescription based upon print version of record.
311   $a1-322-61363-X 
311   $a1-4200-6077-5 
320   $aIncludes bibliographical references.
327   $aFront 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
327   $aChapter 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
330   $aMetallic 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
606   $aMetals
606   $aQuantum chemistry
615  0$aMetals.
615  0$aQuantum chemistry.
676   $a669/.94
701   $aAllison$b Thomas Clayton$01126409
701   $aCoskuner$b Orkid$01543717
701   $aGonzalez$b Carlos A$01543718
801  0$bMiAaPQ
801  1$bMiAaPQ
801  2$bMiAaPQ
906   $aBOOK
912   $a9910790045403321
996   $aMetallic systems$93797303
997   $aUNINA