Modeling of Chemical Reactions covers detailed chemical kinetics models for chemical reactions. Including a comprehensive treatment of pressure dependent reactions, which are frequently not incorporated into detailed chemical kinetic models, and the use of modern computational quantum chemistry, which has recently become an extraordinarily useful component of the reaction kinetics toolkit.
It is intended both for those who need to model complex chemical reaction processes but have little background in the area, and those who are already have experience and would benefit from having a wide range of useful material gathered in one volume. The range of subject matter is wider than that found in many previous treatments of this subject. The technical level of the material is also quite wide, so that non-experts can gain a grasp of fundamentals, and experts also can find the book useful.
* A solid introduction to kinetics
* Material on computational quantum chemistry, an important new area for kinetics
* Contains a chapter on construction of mechanisms, an approach only found in this book

The aim of this book is to show how supramolecular complexity of cell organization can dramatically alter the functions of individual macromolecules within a cell. The emergence of new functions which appear as a consequence of supramolecular complexity, is explained in terms of physical chemistry.
The book is interdisciplinary, at the border between cell biochemistry, physics and physical chemistry. This interdisciplinarity does not result in the use of physical techniques but from the use of physical concepts to study biological problems.
In the domain of complexity studies, most works are purely theoretical or based on computer simulation. The present book is partly theoretical, partly experimental and theory is always based on experimental results. Moreover, the book encompasses in a unified manner the dynamic aspects of many different biological fields ranging from dynamics to pattern emergence in a young embryo.
The volume puts emphasis on dynamic physical studies of biological events. It also develops, in a unified perspective, this new interdisciplinary approach of various important problems of cell biology and chemistry, ranging from enzyme dynamics to pattern formation during embryo development, thus paving the way to what may become a central issue of future biology.

The work describes the production technology of standard medical radionuclides using reactors and cyclotrons for patient diagnosis and therapy. A special focus lies on the science and technology involved in the development of novel radionuclides for positron emission tomography (PET) and internal targeted radiotherapy. The availability of those radionuclides is opening up new potential in clinical research, especially in neurology, cardiology and oncology. The future perspectives of the developing technology are also discussed.

Glass Nanocomposites: Synthesis, Properties and Applications provides the latest information on a rapidly growing field of specialized materials, bringing light to new research findings that include a growing number of technologies and applications. With this growth, a new need for deep understanding of the synthesis methods, composite structure, processing and application of glass nanocomposites has emerged. In the book, world renowned experts in the field, Professors Karmakar, Rademann, and Stepanov, fill the knowledge gap, building a bridge between the areas of nanoscience, photonics, and glass technology. The book covers the fundamentals, synthesis, processing, material properties, structure property correlation, interpretation thereof, characterization, and a wide range of applications of glass nanocomposites in many different devices and branches of technology. Recent developments and future directions of all types of glass nanocomposites, such as metal-glasses (e.g., metal nanowire composites, nanoglass-mesoporous silica composites), semiconductor-glass and ceramic-glass nanocomposites, as well as oxide and non-oxide glasses, are also covered in great depth. Each chapter is logically structured in order to increase coherence, with each including question sets as exercises for a deeper understanding of the text.

This thesis proposes a novel way to catch light energy using an ultrasmall nanostructure. The author has developed photon-materials systems to open the way for novel photoexcitation processes based on the findings obtained from in-situ observation of the systems in which localized surface plasmon (LSP) and molecules interact strongly. The highly ordered metal nanostructure provided the opportunity for anisotropic photoexcitation of materials in an eccentric way. The optimization of the systems via nanostructuring and electrochemical potential control resulted in the novel excitation process using LSP to realize the additional transition for photoexcitation. Furthermore, excited electronic states formed the strong coupling between LSP and excitons of molecules. This thesis will provide readers with an idea for achieving very effective processes for photon absorption, scattering, and emission beyond the present limits of photodevices.

The book introduces fundamentals of 3D printing with light, photoinitiating system for 3D printing as well as resins. Plenty of applications, trends and prospects are also discussed, which make the book an essential reference for both scientists and industrial engineers in the research fields of photochemistry, polymer chemistry, rapid prototyping and photopolymerization.

Essentials of Coordination Chemistry: A Simplified Approach with 3D Visuals provides an accessible overview of this key, foundational topic in inorganic chemistry. Thoroughly illustrated within the book and supplemented by online 3D images and videos in full color, this valuable resource covers basic fundamentals before exploring more advanced topics of interest. The work begins with an introduction to the structure, properties, and syntheses of ligands with metal centers, before discussing the variety of isomerism exhibited by coordination compounds, such as structural, geometrical and optical isomerism. As thermodynamics and kinetics provide a gateway to synthesis and reactivity of coordination compounds, the book then describes the determination of stability constants and composition of complexes. Building upon those principles, the resource then explains a wide variety of nucleophilic substitution reactions exhibited by both octahedral and square planar complexes. Finally, the book discusses metal carbonyls and nitrosyls, special classes of compounds that can stabilize zero or even negative formal oxidation states of metal ions. Highlighting preparations, properties, and structures, the text explores the unique type of Metal-Ligand bonding which enable many interesting applications of these compounds. Thoughtfully organized for academic use, Essentials of Coordination Chemistry: A Simplified Approach with 3D Visuals encourages interactive learning. Advanced undergraduate and graduate students, as well as researchers requiring a full overview and visual understanding of coordination chemistry, will find this book invaluable.

Dealing with the basics, theory and applications of dynamic pulsed-field-gradient NMR NMR (PFG NMR), this book describes the essential theory behind diffusion in heterogeneous media that can be combined with NMR measurements to extract important information of the system being investigated. This information could be the surface to volume ratio, droplet size distribution in emulsions, brine profiles, fat content in food stuff, permeability/connectivity in porous materials and medical applications currently being developed. Besides theory and applications it will provide the readers with background knowledge on the experimental set-ups, and most important, deal with the pitfalls that are numerously present in work with PFG-NMR. How to analyze the NMR data and some important basic knowledge on the hardware will be explained, too.

This thesis presents experimental and theoretical investigations of the connection between the time asymmetry in the short-time evolution of particle clusters and the intrinsic irreversibility of turbulent flows due to the energy cascade. The term turbulence describes a special state of a continuous medium in which many interacting degrees of freedom are excited. One of the interesting phenomena observed in turbulent flows is their time irreversibility. When milk is stirred into coffee, for example, highly complex and interwoven structures are produced, making the mixing process irreversible. This behavior can be analyzed in more detail by studying the dispersion of particle clusters. Previous experimental and numerical studies on the time asymmetry in two-particle dispersion indicate that particles separate faster backwards than forwards in time, but no conclusive explanation has yet been provided. In this thesis, an experimental study on the short-time behavior of two- and four-particle dispersion in a turbulent water flow between two counter-rotating propellers is presented. A brief but rigorous theoretical analysis reveals that the observed time irreversibility is closely linked to the turbulence energy cascade. Additionally, it is demonstrated experimentally that the addition of minute amounts of polymers to the flow has a significant impact on multi-particle dispersion due to an alteration of the energy cascade.

Volume 9: Historical Perspectives, Part A: The Development of Mass Spectrometry of The Encyclopedia of Mass Spectrometry describes and analyzes the development of many aspects of Mass Spectrometry. Beginning with the earliest types of Mass Analyzers, Historical Perspectives explores the development of many different forms of analytical processes and methods. The work follows various instruments and interfaces, to the current state of detectors and computerization. It traces the use of Mass Spectrometry across many different disciplines, including Organic Chemistry, Biochemistry, and Proteomics; Environmental Mass Spectrometry; Forensic Science; Imaging; Medical Monitoring and Diagnosis; Earth and Planetary Sciences; and Nuclear Science. Finally, the book covers the history of manufacturers and societies as well as the professionals who form the Mass Spectrometry community. Also available: Volume 9: Historical Perspectives, Part B: Notable People in Mass Spectrometry briefly reviews the lives and works of many of the major people who carried out this development.

Lacquer Chemistry and Applications explores the topic of lacquer, the only natural product polymerized by an enzyme that has been used for a coating material in Asian countries for thousands of years. Although the human-lacquer-culture, including cultivation of the lacquer tree, harvesting, and the use of lacquer sap, has a long history of more than thousand years, there is very little information available on the modern scientific methods to study lacquer chemistry. This book, based on the results of the authors' 30 years of research on lacquer chemistry, offers lacquer researchers a unique reference on the science and applications of this extremely important material.

This thesis both broadens and deepens our understanding of the Brownian world. It addresses new problems in diffusion theory that have recently attracted considerable attention, both from the side of nanotechnology and from the viewpoint of pure academic research. The author focusses on the difussion of interacting particles in restricted geometries and under externally controlled forces. These geometries serve, for example, to model ion transport through narrow channels in cell membranes or a Brownian particle diffusing in an optical trap, now a paradigm for both theory and experiment. The work is exceptional in obtaining explicit analytically formulated answers to such realistic, experimentally relevant questions. At the same time, with its detailed exposition of the problems and a complete set of references, it presents a clear and broadly accessible introduction to the domain. Many of the problem settings and the corresponding exact asymptotic laws are completely new in diffusion theory.

This volume describes the application of fluorescence spectroscopy in polymer research. The first chapters outline the basic principles of the conformational and dynamic behavior of polymers and review the problems of polymer self-assembly. Subsequent chapters introduce the theoretical principles of advanced fluorescence methods and typical examples of their application in polymer science. The book closes with several reviews of various fluorescence applications for studying specific aspects of polymer-solution behavior. It is a useful resource for polymer scientists and experts in fluorescence spectroscopy alike, facilitating their communication and cooperation.

Volume 9: Historical Perspectives, Part B: Notable People in Mass Spectrometry of The Encyclopedia of Mass Spectrometry briefly reviews the lives and works of many of the major people who carried out this development, providing insights into the history of mass spectrometry applications through the personal stories of pioneers and innovators in the field. The book presents biographies of notable contributors, including Nobel Prize winners J. J. Thomson, Francis W. Aston, Wolfgang Paul, John B. Fenn, and Koichi Tanaka, along with other luminaries in the field, including Franz Hillenkamp, Catherine Clarke Fenselau, Alfred O. C. Nier, and many more, discussing not only the instruments and their uses, but also providing interesting information on the careers, characters, and life stories of the people who did the work.

"Voids in Materials" treats voids of different shapes and forms in various materials, and examines their effects on material properties. The book covers the origins of voids in materials, how they are sometimes introduced in the form of hollow spheres, and the resultant properties of materials containing voids.

There are many books that focus on foams (which intentionally incorporate voids into materials) and that cover voids incidental to or unwanted in the fabrication of non-porous materials. In fact, all materials have voids. This book starts from the premise that voids are pervasive in all material on some level. It goes beyond foams to provide a comprehensive overview of voids, a central reference for scientists and engineers to use for the effect of voids in materials.
Includes 3D renderings of void geometriesExplains how and why voids are introduced into materials across the length scales; from nanometer-scale voids up to macro-scale voidsProvides a continuous picture of how material properties change as the volume fraction of voids increases, and the implications for product design

This book presents current research into the catalytic combustion of methane using perovskite-type oxides (ABO3). Catalytic combustion has been developed as a method of promoting efficient combustion with minimum pollutant formation as compared to conventional catalytic combustion. Recent theoretical and experimental studies have recommended that noble metals supported on (ABO3) with well-ordered porous networks show promising redox properties. Three-dimensionally ordered macroporous (3DOM) materials with interpenetrated and regular mesoporous systems have recently triggered enormous research activity due to their high surface areas, large pore volumes, uniform pore sizes, low cost, environmental benignity, and good chemical stability. These are all highly relevant in terms of the utilization of natural gas in light of recent catalytic innovations and technological advances. The book is of interest to all researchers active in utilization of natural gas with novel catalysts. The research covered comes from the most important industries and research centers in the field. The book serves not only as a text for researcher into catalytic combustion of methane, 3DOM perovskite mixed oxide, but also explores the field of green technologies by experts in academia and industry. This book will appeal to those interested in research on the environmental impact of combustion, materials and catalysis.

This thesis addresses the coordination chemistry and reactivity of copper and gold complexes with a focus on the elucidation of (i) the metal-mediated activation of -bonds and (ii) the migratory insertion reaction. Both processes are of considerable importance in organometallic chemistry, but remain elusive for Cu and Au complexes. In this work, the author contributes significant advances: The first -SiH complexes of copper are experimentally and computationally characterized, yielding valuable insights into -bond activation processes for copper. Evidence for a highly unusual migratory syn insertion of unsaturated organic molecules into the gold-silicon bond of silylgold (I) complexes is provided and the corresponding mechanism identified. The intermolecular oxidative addition of -SiSi, -CC and -CX (X=halogen) bonds with molecular gold (I) complexes is studied in detail, effectively demonstrating that this reaction, usually considered to be impossible for gold, is actually highly favored, provided an adequate ligand is employed. The use of small-bite angle bis (phosphine) gold (I) complexes allows for the first time the oxidative addition of -CC and -CX bonds for gold (I). These results shed light on an unexpected reactivity pattern of gold complexes and may point the way to 2-electron redox transformations mediated by this metal, opening up new perspectives in gold catalysis.

This book explores new experimental phase diagrams of non-oxide ceramics, with a particular focus on the silicon nitride, silicon carbide and aluminum nitride, as well as the ultra-high temperature ceramic (UHTC) systems. It features more than 80 experimental phase diagrams of these non-oxide ceramics, including three phase diagrams of UHTC systems, constructed by the authors. Physical chemistry data covering the period since the 1970s, collected by the author Z.K.Huang, is presented in six tables in the appendixes. It also includes 301 figures involving about 150 material systems. Most of the phase diagrams have been selected from the ACerS-NIST database with copyright permission. The book methodically presents numerous diagrams previously scattered in various journals and conferences worldwide. Providing extensive experimental data, it is a valuable reference resource on ceramics development and design for academic researchers, R&D engineers and graduate students.

The book is a short primer on chemical reaction rates based on a six-lecture first-year undergraduate course taught by the author at the University of Oxford. The book explores the various factors that determine how fast or slowly a chemical reaction proceeds and describes a variety of experimental methods for measuring reaction rates. The link between the reaction rate and the sequence of steps that makes up the reaction mechanism is also investigated. Chemical reaction rates is a core topic in all undergraduate chemistry courses.

The rapid growth of biotechnology and drug design, based on rational principles of biopolymer interactions, has generated many developments in the field of biophysical chemistry. This series presents overviews of these developments and of other topical areas that are attracting interest in the field, from methodological developments in high-resolution NMR spectroscopy and molecular modelling to advances in structural chemistry and mechanistic studies of proteins and other biological compounds crucial for drug design.

Annual Reports in Computational Chemistry provides timely and critical reviews of important topics in computational chemistry as applied to all chemical disciplines. Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists.