The book introduces the outcomes of latest research in the field of Chemical Engineering. The book also illustrates the application of Chemical Engineering principles to provide innovative and state of the art solutions to problems associated with chemical industries. It covers a wide spectrum of topics in the area of Chemical Engineering such as Transfer operations, novel separation processes, adsorption, photooxidation, process control, modelling, and simulation. The book provides timely contribution towards implementation of recent approaches and methods in Chemical Engineering Research. It presents chapters focussed on several Chemical Engineering principles and methodologies of wide multidisciplinary applicability. The intended audience of this book will mainly consist of researchers, research students, and practitioners in Chemical Engineering and allied fields. The book can also serve researchers and students involved in multidisciplinary research.

This volume entitled Advanced Science and Technology of Sintering, contains the edited Proceedings of the Ninth World Round Table Conference on Sintering (IX WRTCS), held in Belgrade, Yugoslavia, September 1-4 1998. The gathering was one in a series of World Round Table Conferences on Sintering organised every four years by the Serbian Academy of Sciences and Arts (SASA) and the International Institute for the Science of Sintering (IISS). The World Round Table Conferences on Sintering have been traditionally held in Yugoslavia. The first meeting was organised in Herceg Novi in 1969 and since then they have regularly gathered the scientific elite in the science of sintering. It is not by chance that, at these conferences, G. C. Kuczynski, G. V. Samsonov, R. Coble, Ya. E. Geguzin and other great names in this branch of science presented their latest results making great qualitative leaps in the its development. Belgrade hosted this conference for the first time. It was chosen as a reminder that 30 years ago it was the place where the International Team for Sintering was formed, further growing into the International Institute for the Science of Sintering. The IX WRTCS lasted four days. It included 156 participants from 17 countries who presented the results of their theoretical and experimental research in 130 papers in the form of plenary lectures, oral presentations and poster sections.

Giovanni Poli, Guillaume Prestat, Fr d ric Liron, Claire Kammerer- Pentier: Selectivity in Palladium Catalyzed Allylic Substitution.- Jonatan Kleimark and Per-Ola Norrby: Computational Insights into Palladium-mediated Allylic Substitution Reactions.- Ludovic Milhau, Patrick J. Guiry: Palladium-catalyzed enantioselective allylic substitution.- Wen-Bo Liu, Ji-Bao Xia, Shu-Li You: Iridium- Catalyzed Asymmetric Allylic Substitutions.- Christina Moberg: Molybdenum- and Tungsten-Catalyzed Enantioselective Allylic Substitutions.- Jean-Baptiste Langlois, Alexandre Alexakis: Copper-catalyzed enantioselective allylic substitution.- Jeanne- Marie Begouin, Johannes E. M. N. Klein, Daniel Weickmann, B. Plietker: Allylic Substitutions Catalyzed by Miscellaneous Metals.- Barry M. Trost, Matthew L. Crawley: Enantioselective Allylic Substitutions in Natural Product Synthesis.

This book reviews the most significant advances in concepts, methods, and applications of quantum systems in a broad variety of problems in modern chemistry, physics, and biology. In particular, it discusses atomic, molecular, and solid structure, dynamics and spectroscopy, relativistic and correlation effects in quantum chemistry, topics of computational chemistry, physics and biology, as well as applications of theoretical chemistry and physics in advanced molecular and nano-materials and biochemical systems. The book contains peer-reviewed contributions written by leading experts in the fields and based on the presentations given at the Twenty-Fourth International Workshop on Quantum Systems in Chemistry, Physics, and Biology held in Odessa, Ukraine, in August 2019. This book is aimed at advanced graduate students, academics, and researchers, both in university and corporation laboratories, interested in state-of-the-art and novel trends in quantum chemistry, physics, biology, and their applications.

This book contains contributions from inorganic, organic and polymer chemists, who report on the state of the art in ring opening metathesis polymerization, acyclic diene metathesis and alkyne polymerization. Topics covered are: mechanism of ROMP reactions, new catalysts for ROMP, new products by ROMP, new catalysts for ADMET, new products by ADMET, degradation of polymers by metathesis reactions, alkyne polymerization and metathesis, and industrial applications of metathesis reactions.

Solid State Chemistry is a general textbook, composed for those with little background knowledge of the subject, but who wish to learn more about the various segments of solid state theory and technology.
The information is presented in a form that can easily be understood and will be useful to readers wishing to build on their own store of knowledge and experience.
Well presented in easy to understand format.
Informative textbook aimed primarily at the novice.
Comprehensively covers the segments of solid state theory and technology.

Multi-scale Quantum Models for Biocatalysis explores various molecular modelling techniques and their applications in providing an understanding of the detailed mechanisms at play during biocatalysis in enzyme and ribozyme systems. These areas are reviewed by an international team of experts in theoretical, computational chemistry, and biophysics.

This book presents detailed reviews concerning the development of various techniques, including ab initio molecular dynamics, density functional theory, combined QM/MM methods, solvation models, force field methods, and free-energy estimation techniques, as well as successful applications of multi-scale methods in the biocatalysis systems including several protein enzymes and ribozymes.

This book is an excellent source of information for research professionals involved in computational chemistry and physics, material science, nanotechnology, rational drug design and molecular biology and for students exposed to these research areas."

The so-called reaction path (RP) with respect to the potential energy or the Gibbs energy ("free enthalpy") is one of the most fundamental concepts in chemistry. It significantly helps to display and visualize the results of the complex microscopic processes forming a chemical reaction. This concept is an implicit component of conventional transition state theory (TST). The model of the reaction path and the TST form a qualitative framework which provides chemists with a better understanding of chemical reactions and stirs their imagination. However, an exact calculation of the RP and its neighbourhood becomes important when the RP is used as a tool for a detailed exploring of reaction mechanisms and particularly when it is used as a basis for reaction rate theories above and beyond TST. The RP is a theoretical instrument that now forms the "theoretical heart" of "direct dynamics." It is particularly useful for the interpretation of reactions in common chemical systems. A suitable definition of the RP of potential energy surfaces is necessary to ensure that the reaction theories based on it will possess sufficiently high quality. Thus, we have to consider three important fields of research: - Analysis of potential energy surfaces and the definition and best calculation of the RPs or - at least - of a number of selected and chemically interesting points on it. - The further development of concrete vers ions of reaction theory beyond TST which are applicable for common chemical systems using the RP concept.

This is the first book covering an interdisciplinary field between microwave spectroscopy of electron paramagnetic resonance (EPR) or electron spin resonance (ESR) and chronology science, radiation dosimetry and ESR (EPR) imaging in material sciences. The main object is to determine the elapsed time with ESR from forensic medicine to the age and radiation dose in earth and space science. This book is written primarily for earth scientists as well as for archaeologists and for physicists and chemists interested in new applications of the method. This book can serve as an undergraduate and graduate school textbook on applications of ESR to geological and archaeological dating, radiation dosimetry and microscopic magnetic resonance imaging (MRI). Introduction to ESR and chronology science and principle of ESR dating and dosimetry are described with applications to actual problems according to materials.

This is the first book covering an interdisciplinary field between microwave spectroscopy of electron paramagnetic resonance (EPR) or electron spin resonance (ESR) and chronology science, radiation dosimetry and ESR (EPR) imaging in material sciences. The main object is to determine the elapsed time with ESR from forensic medicine to the age and radiation dose in earth and space science. This book is written primarily for earth scientists as well as for archaeologists and for physicists and chemists interested in new applications of the method. This book can serve as an undergraduate and graduate school textbook on applications of ESR to geological and archaeological dating, radiation dosimetry and microscopic magnetic resonance imaging (MRI). Introduction to ESR and chronology science and principle of ESR dating and dosimetry are described with applications to actual problems according to materials.

The 2003 International Conference "Hydrogen Materials Science and Chemistry of Carbon Nanomaterials" was held in September 2003. In the tradition of the earlier ICHMS conferences, this meeting served as an interdisciplinary forum for the presentation and discussion of the most recent research on transition to hydrogen-based energy systems, technologies for hydrogen production, storage, utilization, materials, energy and environmental problems. The aim of the volume is to provide an overview of the latest scientific results on research and development in the different topics cited above. The representatives from industry, public laboratories, universities and governmental agencies have presented the most recent advances in hydrogen concepts, processes and systems, to evaluate current progress in these areas of investigations and to identify promising research directions for the future.

"Blurb & Contents" This collection of articles covers the "quiet revolution" that took place in quantum optics in the 1980s. Explores far-reaching repercussions in methods of light field generation, propagation, and detection in the quantum rather than in the classical regime. Throughout, theory is discussed with supporting experimental data. Newcomers and experienced researchers will find this a useful introduction and an excellent reference. Contents: Introduction. The early years. Photon antibunching and sub- Poissonian photon statistics. Squeezed states of light. Quantum non- demolition. Quantum effects in photon interference. Cavity quantum electrodynamics. Quantum noise reduction in lasers.

There exists a large literature on the spectroscopic properties of copper(II) com- 9 pounds. This is due to the simplicity of the d electron configuration, the wide variety of stereochemistries that copper(II) compounds can adopt, and the f- xional geometric behavior that they sometimes exhibit [1]. The electronic and geometric properties of a molecule are inexorably linked and this is especially true with six-coordinate copper(II) compounds which are subject to a Jahn-T- ler effect.However,the spectral-structural correlations that are sometimes d- wn must often be viewed with caution as the information contained in a typical solution UV-Vis absorption spectrum of a copper(II) compound is limited. Meaningful spectral-structural correlations can be obtained in a related series of compounds where detailed spectroscopic data is available. In the fol- 4- lowing sections two such series are examined; the six-coordinate CuF and 6 2+ Cu(H O) ions doped as impurities in single crystal hosts.Using low tempera- 2 6 ture polarized optical spectroscopy and electron paramagnetic resonance, a very detailed picture can be drawn about the geometry of these ions in both their ground and excited electronic states. We then compare the spectrosco- cally determined structural data with that obtained from X-ray diffraction or EXAFS measurements.

The activation of dioxygen by metal ions has both synthetic potential and biological relevance. Dioxygen is the cleanest oxidant for use in emission-free technologies to minimize pollution of the environment. The book gives a survey of those catalyst systems based on metal complexes which have been discovered and studied in the last decade. They activate molecular oxygen and effect the oxidation of various organic compounds under mild conditions. Much of the recent progress is due to a search for biomimetic catalysts that would duplicate the action of metalloenzymes. Mechanistic aspects are emphasized throughout the book. An introductonary chapter reviews the chemistry of transition metal dioxygen complexes, which are usually the active intermediates in the catalytic reactions discussed. Separate chapters are devoted to oxidation of saturated, unsaturated and aromatic hydrocarbons, phenols, catechols, oxo-compounds, phosphorus, sulfur and nitrogen compounds.

Magnetic Oxides offers a cohesive up-to-date introduction to magnetism in oxides. Emphasizing the physics and chemistry of local molecular interactions essential to the magnetic design of small structures and thin films, this volume provides a detailed view of the building blocks for new magnetic oxide materials already advancing research and development of nano-scale technologies.

Clearly written in a well-organized structure, readers will find a detailed description of the properties of magnetic oxides through the prism of local interactions as an alternative to collective electron concepts that are more applicable to metals and semiconductors. Researchers will find Magnetic Oxides a valuable reference.

Interest in structures with nanometer-length features has significantly increased as experimental techniques for their fabrication have become possible. The study of phenomena in this area is termed nanoscience, and is a research focus of chemists, pure and applied physics, electrical engineers, and others. The reason for such a focus is the wide range of novel effects that exist at this scale, both of fundamental and practical interest, which often arise from the interaction between metallic nanostructures and light, and range from large electromagnetic field enhancements to extraordinary optical transmission of light through arrays of subwavelength holes. This dissertation is aimed at addressing some of the most fundamental and outstanding question in nanoscience from a theoretical computational perspective, specifically: (i) At the single nanoparticle level, how well do experimental and classical electrodynamics agree? (ii) What is the detailed relationship between optical response and nanoparticle morphology, composition, and environmental? (iii) Does an optimal nanostructure exist for generation large electromagnetic field enhancements, and is there a fundamental limit to this? (iv) Can nanostructures be used to control light, such as confining it, or causing fundamentally different scattering phenomena to interact, such as electromagnetic surface modes and diffraction effects? (v) Is it possible to calculate quantum effects using classical electrodynamics, and if so, how do they affect optical properties?

The breadth of scientific and technological interests in the general topic of photochemistry is truly enormous and includes, for example, such diverse areas as microelectronics, atmospheric chemistry, organic synthesis, non-conventional photoimaging, photosynthesis, solar energy conversion, polymer technologies, and spectroscopy. This Specialist Periodical Report on Photochemistry aims to provide an annual review of photo-induced processes that have relevance to the above wide-ranging academic and commercial disciplines, and interests in chemistry, physics, biology and technology. In order to provide easy access to this vast and varied literature, each volume of Photochemistry comprises sections concerned with photophysical processes in condensed phases, organic aspects which are sub-divided by chromophore type, polymer photochemistry, and photochemical aspects of solar energy conversion. Volume 34 covers literature published from July 2001 to June 2002. Specialist Periodical Reports provide systematic and detailed review coverage in major areas of chemical research. Compiled by teams of leading authorities in the relevant subject areas, the series creates a unique service for the active research chemist, with regular, in-depth accounts of progress in particular fields of chemistry. Subject coverage within different volumes of a given title is similar and publication is on an annual or biennial basis.

From materials science to integrated circuit development, much of modern technology is moving from the microscale toward the nanoscale. This book focuses on the fundamental physics underlying innovative techniques for analyzing surfaces and near-surfaces. New analytical techniques have emerged to meet these technological requirements, all based on a few processes that govern the interactions of particles and radiation with matter. This book addresses the fundamentals and application of these processes, from thin films to field effect transistors.

This book discusses recent advances in theoretical-computational studies on the biosynthesis of melanin pigment (melanogenesis). These advances are being driven by the development of high-performance computers, new experimental findings, and extensive work on medical applications involving the control of pigmentation and the treatment of challenging dermatological diseases. Understanding the elementary processes involved in chemical reactions at the atomic scale is important in biochemical reaction design for effective control of the pigmentary system. Accordingly, the book focuses on the elementary steps involved in melanogenesis, which crucially affect the composition of the resulting melanin pigment by means of competitive reactions. The book also addresses reactions analogous to melanogenesis, with a focus on o-quinone reactions, which are especially important for understanding melanogenesis-associated cytotoxicity.

Almost thirty years ago the author began his studies in colloid chemistry at the laboratory of Professor Ryohei Matuura of Kyushu University. His graduate thesis was on the elimination of radioactive species from aqueous solution by foam fractionation. He has, except for a few years of absence, been at the university ever since, and many students have contributed to his subsequent work on micelle formation and related phenomena. Nearly sixty papers have been published thus far. Recently, in search of a new orientation, he decided to assemble his findings and publish them in book form for review and critique. In addition, his use of the mass action model of micelle has received much criticism, especially since the introduction of the phase separation model. Many recent reports have postulated a role for Laplace pressure in micellization. Although such a hypothesis would provide an easy explanation for micelle formation, it neglects the fact that an interfacial tension exists between two macroscopic phases. The present book cautions against too ready an acceptance of the phase separation model of micelle formation. Most references cited in this book are studies introduced in small group meetings of colloid chemists, the participants at which included Professors M. Saito, M. Manabe, S. Kaneshina, S. Miyagishi, A. Yamauchi, H. Akisada, H. Matuo, M. Sakai, and Drs. O. Shibata, N. Nishikido, and Y. Murata, to whom the author wishes to express his gratitude for useful discussions.

Reinvigorated by advances and insights the quantum theory of irreversible processes has recently attracted growing attention.

This volume introduces the very basic concepts of semigroup dynamics of open quantum systems and reviews a variety of modern applications. Originally published as Volume 286 (1987) in Lecture in Physics, this volume has been newly typeset, revised and corrected and also expanded to include a review on recent developments.

There is an increasing challenge for chemical industry and research institutions to find cost-efficient and environmentally sound methods of converting natural resources into fuels chemicals and energy. Catalysts are essential to these processes and the Catalysis Specialist Periodical Report series serves to highlight major developments in this area. This series provides systematic and detailed reviews of topics of interest to scientists and engineers in the catalysis field. The coverage includes all major areas of heterogeneous and homogeneous catalysis and also specific applications of catalysis such as NOx control kinetics and experimental techniques such as microcalorimetry. Each chapter is compiled by recognised experts within their specialist fields and provides a summary of the current literature. This series will be of interest to all those in academia and industry who need an up-to-date critical analysis and summary of catalysis research and applications. Catalysis will be of interest to anyone working in academia and industry that needs an up-to-date critical analysis and summary of catalysis research and applications. Specialist Periodical Reports provide systematic and detailed review coverage in major areas of chemical research. Compiled by teams of leading experts in their specialist fields, this series is designed to help the chemistry community keep current with the latest developments in their field. Each volume in the series is published either annually or biennially and is a superb reference point for researchers. www.rsc.org/spr

This book presents theoretical studies of electronic structure, optical and spectroscopic properties of a number of compounds such as porphyrins, fullerenes and heteroatomic single-wall nanotubes. The book presents new, faster calculation methods for application in quantum-chemical theory of electronic structures. It addresses issues of practical importance such as the development of materials for photosensitizers, organic LEDs and solar cells.

This volume contains a representative selection of the papers presented at the 10th European Workshop on Quantum Systems in Chemistry and Physics, held at Beit al Hikma, Carthage, Tunisia, from September 1st to 7th, 2005. The workshop continued the series which initiated at San Miniato, near Pisa, Italy, in 1996. The workshop's aim was to bring together chemists and physicists with a common interest in the quantum-mechanical many-body problem, in order to foster conceptual and methodological development for the understanding of the structure, dynamics and properties of atoms, molecules, and the solid state. This underpins many of the new emerging fields of science and technology: molecular engines, nanomaterials, responsive structural materials, synthetic bio-materials, drugs, and so on.