05039nam 2200649Ia 450 991096014160332120251117090907.01-61324-867-9(CKB)2550000000046453(EBL)3018247(SSID)ssj0000569857(PQKBManifestationID)11931352(PQKBTitleCode)TC0000569857(PQKBWorkID)10587745(PQKB)11167058(MiAaPQ)EBC3018247(Au-PeEL)EBL3018247(CaPaEBR)ebr10659169(OCoLC)847632165(BIP)28841198(EXLCZ)99255000000004645320100201d2011 uy 0engur|n|---|||||txtccrQuantum frontiers of atoms and molecules /editor, Mihai V. Putz1st ed.Hauppauge, N.Y. Nova Science Publishersc20111 online resource (687 p.)Chemistry research and applicationsDescription based upon print version of record.1-61668-158-6 Includes bibliographical references and index.""1. Why a Reappraisal Is Necessary """"2. The Relevance of the Classical Framework ""; ""3. On the Two Kinds of Incompatibility ""; ""4. Wholeness and the Proper Logic for Complementarity ""; ""5. The Reduction of Duality ""; ""References ""; ""COMPLEMENTARITY OUT OF CONTEXT: ESSAY ON THE RATIONALITY OF BOHR�S THOUGHT""; ""Abstract ""; ""1. Complementarity Contextualized ""; ""2. Complementarity: A Stumbling Block on the Way to Context ""; ""3. The Duality Route to Context ""; ""4. Incommensurability: Last Resort�and Last Exit ""; ""5. The Concept of Action Quantization """"6. Tying Loose Ends """"Appendix ""; ""Notes ""; ""References ""; ""MOLECULAR INTEGRALS OVER SLATER-TYPE ORBITALS. FROM PIONEERS TO RECENT DEVELOPMENTS""; ""Abstract""; ""1.Introduction""; ""2.Early History of the Slater Orbitals""; ""3.History of the STO Computer Programs""; ""4.Slater Orbitals & Gaussian Orbitals""; ""5.Types of Exponentially Decaying Orbital, Based on Eigen-functions for One-Electron Atoms""; ""6.Types of Integral over Slater Orbitals""; ""6.1.One-Electron Integrals""; ""6.2.Two-Electron Integrals""; ""6.3.Three- and Four-Electron Integrals""""7.Methods in the Literature""""7.1.Single-Center Expansion""; ""7.2.Gaussian Expansion""; ""7.3.Gaussian Transform Method""; ""7.4.Fourier-Transform Method""; ""7.5.Use of Sturmians""; ""7.6.Elliptic Coordinate Method""; ""8.General Two-electron Exponential Type Orbital Integrals in Poly-Atomics without Orbital Translations""; ""8.1.Introduction""; ""8.2.Basis Sets""; ""8.3.Programming Strategy""; ""8.4.Avoiding ETO Translations for Two-Electron Integrals over Three and Four Centers""; ""8.5.Numerical Results of Coulomb Resolutions: Efficiency""""8.6.Selected Exchange Integrals for the CH3F Molecule (Evaluated Using the Coulomb Resolution)""""8.7.Conclusions""; ""9.Explicitly Correlated Methods for Molecules""; ""10.Highly Accurate Calculations Using STOs""; ""11.Closing Remarks""; ""Acknowledgements""; ""References""; ""TUNNELING DYNAMICS AND ITS SIGNATURES IN COUPLED SYSTEMS""; ""Abstract""; ""1.Introduction""; ""2.Historical Development""; ""A.Tunneling in Physics""; ""B.Tunneling in Chemistry""; ""C.Tunneling in Coupled Systems""; ""3.The Method""; ""A.Dynamics of the Coupled System in the Absence of Driving""""B.Dynamics of the Coupled System in the Presence of External Driving""This volume gives larger and deeper coverage of the electronic matters through the physical, chemical and biological ordered systems. With their increasing complexity, the matter structure from the physical to chemical to biological manifestations in an inter-disciplinary cross-fertilisation manner is gradually introduced. The book presents and reviews the avant-garde contributions for the XXI century with equilibrated contents provided by important scientists world-wide demonstrating a valuable impact on quantum fundamentals and applications. In fact, the present volume attempts to serve the unification of the physical-chemical-biological manifestation of atoms in molecules and in nanostructures by means of expanding the quantum frontiers by conjunction, either with relativity, topological information or graph theories as well.Chemistry Research and ApplicationsChemical bondsMathematical modelsDirac equationQuantum chemistryChemical bondsMathematical models.Dirac equation.Quantum chemistry.541/.28Putz Mihai V768322MiAaPQMiAaPQMiAaPQBOOK9910960141603321Quantum frontiers of atoms and molecules4477025UNINA03620nam 22006852 450 991097077740332120151005020622.01-139-09723-71-107-22593-01-283-34168-91-139-10303-297866133416861-139-10057-21-139-10123-41-139-09854-30-511-97731-X1-139-09921-3(CKB)2550000000055698(EBL)803017(OCoLC)769342104(SSID)ssj0000536961(PQKBManifestationID)11351352(PQKBTitleCode)TC0000536961(PQKBWorkID)10553067(PQKB)10123188(UkCbUP)CR9780511977312(MiAaPQ)EBC803017(Au-PeEL)EBL803017(CaPaEBR)ebr10502835(CaONFJC)MIL334168(PPN)261278568(EXLCZ)99255000000005569820101013d2011|||| uy| 0engur|||||||||||txtrdacontentcrdamediacrrdacarrierFundamentals of Polymer-Clay Nanocomposites /Gary W. Beall and Clois E. Powell1st ed.Cambridge :Cambridge University Press,2011.1 online resource (vii, 185 pages) digital, PDF file(s)Title from publisher's bibliographic system (viewed on 05 Oct 2015).0-521-87643-5 1. Introduction -- 2. Thermodynamics and kinetics of polymer-clay nanocomposites -- 3. Analytical methods in nanocomposites; 4. Gas diffusion characteristics of polymer-clay nanocomposites -- 5. Engineering properties of polymer-clay nanocomposites theory and theory validation -- 6. Variables associated with polymer-clay processing in relation to reinforcement theory -- 7. The effect of polymer type specificity to the production of polymer-clay nanocomposites -- 8. Flame retardancy.Written for graduate students, researchers, and practitioners, this book provides a complete introduction to the science, engineering, and commercial applications of polymer-clay nanocomposites. Starting with a discussion of general concepts, the authors define specific terms used in the field, providing newcomers with a strong foundation to the area. The physical and mechanical properties of polymer-clay nanocomposites are then described, with chapters on thermodynamics and kinetics, engineering properties, barrier properties, and flame retardancy. Mechanisms underpinning observed effects, such as UV resistance, solvent resistance, and hardness, are also explained. In-depth discussions of clay and clay surface treatment, fabrication, and characterization of nanocomposites are provided, and particular emphasis is placed on the proper use and interpretation of analytical techniques, helping readers to avoid artifacts in their own work. With commercial applications discussed throughout, and experimental results connected with theory, this is an ideal reference for those working in polymer science.Nanocomposites (Materials)Polymer clayNanocomposites (Materials)Polymer clay.620.1/92TEC021000bisacshBeall G. W.283662Powell Clois E(Clois Elbert),1944-UkCbUPUkCbUPBOOK9910970777403321Fundamentals of Polymer-Clay Nanocomposites4476202UNINA