Covers the major experimental and theoretical methods currently used to study the energetics of stable molecules and reactive intermediates. Reviews the ate of the art and shows the interplay of experimental and theoretical methods used to probe bonding energetics and reactivity and a wide range of chemical species. A modern and invaluable introduction to the study of molecular energetics. A reference for workers currently involved in the field.

This book describes in detail the use of natural cellulose fibers for the production of innovative, low-cost, and easily recyclable lithium-ion (Li-ion) cells by means of fast and reliable papermaking procedures that employ water as a solvent. In addition, it proposes specific methods to optimize the safety features of these paper-based cells and to improve the electronic conductivity of the electrodes by means of a carbonization process- an interesting novel technology that enables higher current rate capabilities to be achieved. The in-depth descriptions of materials, methods, and techniques are complemented by the inclusion of a general overview of electrochemical devices and, in particular, of different Li-ion battery configurations. Presenting the outcomes of this important research, the work is of wide interest to electrochemical engineers in both research institutions and industry.

People who attended the NATO Advanced Study Institute (ASI) entitled NEW THEORETICAL CONCEPTS FOR UNDERSTANDING ORGANIC REAC TIONS held at Sant Feliu de Gufxols on the Costa Brava of Spain had a unique experience. They have seen the evolution of the field from qualitative arguments through the generation of Potential Energy Surfaces (PES) to the use of PES in molecular dynamics. The excellent lectures that were dedicated to the various aspects of Potential Energy Surfaces clearly revealed a colossal amount of ma terial that represents our current understanding of the overall problem. It is our hope that the present volume will recreate the excitement in the readers that we all experienced during the meeting in Spain. One can say, without too much exaggeration, that chemistry has become and exercise on potential energy surfaces (PES). Structural (position of the energy minima), spectroscopic (vicinity around the minima), and reactivity (reaction path along the surface) properties may be determined from the analysis of PES. New theoretical tools, together with recent developments in computer technology and programming, have allowed to obtain a better knowledge of these surfaces, and to extract further chemical information from them, so new horizons have been added to Theoretical Organic Chemistry."

This book represents the first rigorous treatment of thermoelectrochemistry, providing an overview that will stimulate electrochemists to develop and apply modern thermoelectrochemical methods. While classical static approaches are also covered, the emphasis lies on methods that make it possible to independently vary temperature such as in-situ heating of electrodes by means of electric current, microwaves or lasers. For the first time, "hot-wire electrochemistry" is examined in detail. The theoretical background presented addresses all aspects of temperature impacts in the context of electrochemistry.

The volume LB IV/15 Diffusion in Gases, Liquids, and Electrolytes is divided into three subvolumes. Part A: Gases in Gases, Liquids and their Mixtures; Part B: Liquids in Liquids and Liquid Mixtures; Part C: Ions and Electrolytes in Liquids, Electrolytes and Molten Salts. This Standard Reference Book contains selected and easily retrievable data from the fields of physics and chemistry collected by acknowledged international scientists.

This book presents an original investigation into alternative photovoltaic absorbers. Solar power is a highly promising renewable energy solution; however, its success is hampered by the limited cost-effectiveness of current devices. The book assesses the photovoltaic performance of over 20 materials using state-of-the-art, first-principles methods. Adopting a computational approach, it investigates atomic-scale properties at a level of accuracy that is difficult to achieve using laboratory-based experimental techniques. Unlike many theoretical studies, it provides specific advice to those involved in experimental investigations. Further, it proposes directions for future research. This book advances the field of photovoltaics in three crucial ways: firstly, it identifies why one class of proposed materials cannot achieve high efficiency, while at the same time gaining insights that can be used to design future absorbers. Secondly, it shows that poor performance in the bismuth chalcohalides is not due to fundamental limitations, and can be overcome by finely controlling synthesis conditions. Lastly, it describes a range of new stable materials that are expected to show excellent photovoltaic performance.

The series Topics in Heterocyclic Chemistry presents critical reviews on present and future trends in the research of heterocyclic compounds. Overall the scope is to cover topics dealing with all areas within heterocyclic chemistry, both experimental and theoretical, of interest to the general heterocyclic chemistry community. The series consists of topic related volumes edited by renowned editors with contributions of experts in the field.

The present text is a rational analysis of the concept of the chemical bond by means of the principles of wave mechanics. The discussion of the material has been arranged so as to render its main content comprehensible for readers who may not have had pre"ious training in quantum mechanics. The text comprises three major parts. It begins with an exposition of the fundamental ideas. In this section the principles are reviewed from which de Broglie developed his mechanics; this allows the book to be read by chemistry majors and freshmen alike. However, we believe that it may also be of interest to university-and college teachers who must include certain aspects of quantum chemistry into their courses while being insufficiently familiar with the subject. It may even be of interest to science teachers in secondary schools. Finally, having been a witness to the evolution of these notions for over a quarter of a century, we present certain concepts from a particular point of view which might prove attractive to chemists of all kinds, perhaps even quantum chemists. The second, more technical part summarizes the methods of constructing wave functions that describe the electrons in molecules. This section can only be fully appreciated by those readers who are familiar with some aspects of the algorithms used in quantum mechanics.

Essentially, Orientations and Rotations treats the mathematical and computational foundations of texture analysis. It contains an extensive and thorough introduction to parameterizations and geometry of the rotation space. Since the notions of orientations and rotations are of primary importance for science and engineering, the book can be useful for a very broad audience using rotations in other fields.

The study of the structure of molecular systems is an enduring area of research. This series is devoted to bringing together articles from leading workers in the field that draw together recent theoretical and experimental results and advances in understanding.

This contributed volume provides a critical review of research in the field of Electrochemical Promotion of Catalysis (EPOC). It presents recent developments during the past decade that have led to a better understanding of the field and towards applications of the EPOC concept. The chapters focus on the implementation of EPOC for developing sinter-resistant catalysts, catalysts for hydrogen production, ammonia production and carbon dioxide valorization. The book also highlights the developments towards electropromoted dispersed catalysts and for self-sustained electrochemical promotion which are currently expanding. This authoritative analysis of EPOC is useful for various scientific communities working at the interface of heterogeneous catalysis, solid state electrochemistry and materials science. It is of particular interest to groups whose research focuses on developments towards a better and more sustainable future.

 The first supplement to the three volume reference work "Comprehensive Asymmetric Catalysis" critically reviews new developments to the hottest topics in the field written by recognised experts. Eleven chapters which are already in the major reference work have been supplemented and additionally five new chapters have been included. Thus the state-of-the art in this area is now re-established. Together with the basic three volume book set this supplement is not only the principal reference source for synthetic organic chemists, but also for all scientific researchers who use chiral compounds in their work (for example, in biochemical investigations and molecular medicine) as well as for pharmaceutical chemists and other industrial researchers who prepare chiral compounds.

On March 26-27, 1980, a symposium organized by one of us (P. P. ) was held at the l79th American Chemical Society National 1eeting in Houston, Texas, under the sponsorship of the Theoretical Chemistry Subdivision of the Division of Physical Chemistry. The symposium was entitled "The Role of the Electrostatic Potential in Chemistry," and it served as a stimulus for this book. The original scope and coverage have been broadened, however; included here, in addition to contributions from the eleven invited symposium speakers and two of the poster-session participants, are four papers that were specially invited for this book. Furthermore, several authors have taken this opportunity to present at least partial reviews of the areas being discussed. Most of the manuscripts were completed in the late spring and early summer of 1980. We hope that this book will achieve two goals: First, we are trying to provide an overall picture, including recent advances, of current chemical research, both fundamental and applied, involving the electrostatic potential. Second, we want to convey an appreci ation of both the powers and also the limitations of the electro static potential approach. In order to achieve these goals, we have selected contributors whose research areas provide a very broad coverage of the field. Throughout the book, we have used a. u."

The presentation in the book is based on charge balance on the dust particles, number and energy balance of the constituents and atom-ion-electron interaction in the gaseous plasma. Size distribution of dust particles, statistical mechanics, Quantum effects in electron emission from and accretion on dust particles and nonlinear interaction of complex plasmas with electric and electromagnetic fields have been discussed in the book. The book introduces the reader to basic concepts and typical applications. The book should be of use to researchers, engineers and graduate students.

Boron-Doped Diamond Electrodes for Electroorganic Chemistry, by Siegfried R. Waldvogel, Stamo Mentizi und Axel Kirste.- Modern Developments in Aryl Radical Chemistry, by Gerald Pratsch und Markus R. Heinrich.- Radical Additions to Chiral Hydrazones: Stereoselectivity and Functional Group Compatibility, by Gregory K. Friestad.- Hydrogen Atom Donors: Recent Developments, by Andreas Gansauer, Lei Shi, Matthias Otte, Inga Huth, Antonio Rosales, Iris Sancho-Sanz, Natalia M. Padial und J. Enrique Oltra.- Radicals in Transition Metal Catalyzed Reactions? Transition Metal Catalyzed Radical Reactions? - A Fruitful Interplay Anyway Part 1. Radical Catalysis by Group 4 to Group 7 Elements, by Ullrich Jahn.- Radicals in Transition Metal Catalyzed Reactions? Transition Metal Catalyzed Radical Reactions? - A Fruitful Interplay Anyway Part 2. Radical Catalysis by Group 8 and 9 Elements, by Ullrich Jahn.- Radicals in Transition Metal Catalyzed Reactions? Transition Metal Catalyzed Radical Reactions?: A Fruitful Interplay Anyway Part 3: Catalysis by Group 10 and 11 Elements and Bimetallic Catalysis, by Ullrich Jahn.-"

Synchrotron Techniques in Interfacial Chemistry covers the structure of the electrode--solution interface and surface films, theory of X-ray scattering at surfaces and interfaces, synchrotron radiation instrumentation, surface X-ray diffraction, X-ray reflectivity, X-ray absorption spectroscopy (EXAFS and XANES), standing wave techniques, and IR spectroscopy. The use of each technique in the study of electrochemical problems is illustrated.

Almost all contemporary organic synthesis involve transition metal complexes as catalysts or particular reagents. The aim of this book is to provide the reader with detailed accounts of elementary processes within molecular catalysis to allow its development and as an aid in designing novel catalytic systems. The book comprises authoritative reviews on elementary processes from experts working at the forefront of organometallic chemistry.
.This is the first book that focuses on elementary processes in transition metal complexes for understanding catalytic mechanisms
.Provides detailed description of elementary processes involved in catalytic cycles by experts in the field
.Provides an overview of the mechanisms of various homogeneous catalyses

Microemulsions and gels are well-known systems, which play a major role in colloidal and interfacial science. In contrast, the concept of gel microemulsions is still quite new. Gelled microemulsions are highly promising for microemulsion applications in which low viscosity is undesirable, such as administering a drug-delivering microemulsion to a certain area of the skin. It is essential to understand the properties of and structures formed in a system combining microemulsion components and a gelator. This PhD thesis by Michaela Laupheimer provides an in-depth discussion of the phase behavior and sol-gel transition of a microemulsion gelled by a low molecular weight gelator as well as the rheological behavior of a gelled bicontinuous microemulsion. Moreover, the microstructure of the gelled bicontinuous system is fully clarified using techniques like self-diffusion NMR and small angle neutron scattering (SANS). By comparing gelled bicontinuous microemulsions with corresponding non-gelled microemulsions and binary gels, it is demonstrated that bicontinuous microemulsion domains coexist with a gelator network and that the coexisting structures possess no fundamental mutual influence. Hence, gelled bicontinuous microemulsions have been identified as a new type of orthogonal self-assembled system.

This volume covers both basic and advanced aspects of organometallic chemistry of all metals and catalysis. In order to present a comprehensive view of the subject, it provides broad coverage of organometallic chemistry itself. The catalysis section includes the challenging activation and fictionalization of the main classes of hydrocarbons and the industrially crucial heterogeneous catalysis. Summaries and exercises are provides at the end of each chapter, and the answers to these exercises can be found at the back of the book. Beginners in inorganic, organic and organometallic chemistry, as well as advanced scholars and chemists from academia and industry will find much value in this title.

Separation technologies are of crucial importance to the goal of significantly reducing the volume of high-level nuclear waste, thereby reducing the long-term health risks to mankind. International co-operation, including the sharing of concepts and methods, as well as technology transfer, is essential in accelerating research and development in the field.

The writers of this book are all internationally recognised experts in the field of separation technology, well qualified to assess and criticize the current state of separation research as well as to identify future opportunities for the application of separation technologies to the solution of nuclear waste management problems. The major emphases in the book are research opportunities in the utilization of innovative and potentially more efficient and cost effective processes for waste processing/treatment, actinide speciation/separation methods, technological processing, and environmental restoration.

Prof. Baev presents in his book the development of the thermodynamic theory of specific intermolecular interactions for a wide spectrum of organic compounds: ethers, ketones, alcohols, carboxylic acids, and hydrocarbons. The fundamentals of an unconventional approach to the theory of H-bonding and specific interactions are formulated based on a concept of pentacoordinate carbon atoms. New types of hydrogen bonds and specific interactions are substantiated and on the basis of the developed methodology their energies are determined. The system of interconnected quantitative characteristics of the stability of specific intermolecular interactions is presented. The laws of their transformations are discussed and summarized. The new concept of the extra stabilizing effect of isomeric methyl groups on the structure and stability of organic molecules is introduced and the destabilization action on specific interactions is outlined.

Surface engineering is an increasingly important field and consequently those involved need to be aware of the vast range of technologies available to modify surfaces. This text provides an up-to-date, authoritative exposition of the major condensed phase methods used for producing metallurgical and ceramic coatings. Each method is discussed thoroughly by an expert in that field. In each chapter the principle of the method, its range of applications and technical aspects involved are described. The book not only informs the reader about established technologies familiar only to specialists, but also details activity on the frontier of coating technology providing an insight into those potential technologies not yet fully developed but which should emerge in the near future.

We are pleased to present the ?fth volume of Progress in Ultrafast Intense LaserScience.Asthefrontiersofultrafastintenselasersciencerapidlyexpand ever outward, there continues to be a growing demand for an introduction to this interdisciplinary research ?eld that is at once widely accessible and ca- ble of delivering cutting-edge developments. Our series aims to respond to this call by providing a compilation of concise review-style articles written by researchers at the forefront of this research ?eld, so that researchers with d- ferent backgrounds as well as graduate students can easily grasp the essential aspects. As in the previous volumes of PUILS, each chapter of this book begins with an introductory part, in which a clear and concise overview of the topic and its signi?cance is given, and moves onto a description of the authors' most recent research results. All the chapters are peer-reviewed. The articles ofthis?fth volumecovera diverserangeofthe interdisciplinaryresearch?eld, and the topics may be grouped into three categories: coherent responses of gaseousand condensed matter to ultrashortintense laser pulses (Chaps. 1-4), propagationof intense laser pulses (Chaps. 5, 6), and laser-plasma interaction and its applications (Chaps. 7-10). From the third volume, the PUILS series has been edited in liaison with the activities of Center for Ultrafast Intense Laser Science in The University of Tokyo, and JILS (Japan Intense Light Field Science Society), the latter of which has also been responsible for sponsoring the series and making the regularpublicationofitsvolumespossible.Fromthe presentvolume,the C- sortiumonEducationandResearchonAdvancedLaserScience,theUniversity of Tokyo, joins this publication activity as one of the sponsoring programs.

Oxygenases have been the subject of much study and are of great interest and application. Biomimetic chemistry of oxygenases has yielded clarification of enzyme structures and reaction mechanisms and has also led to the development of synthetic oxygenation processes. This volume contains 8 chapters written by leading researchers which together present an overview of di- and mono-oxygenases and their model systems from the point of view of functions, structures and mechanisms. An up-to-date clarification of structures around active centres of heme- and nonheme-oxygenases is given with reference to the design of model complexes. Various contributions also discuss in detail the formation, structure and reactivity of metal-oxygen and metal-substrate species in both enzyme and model systems. The contents of the volume address the interface between bioinorganic chemistry and homogeneous catalysis and contains much to emphasize the importance of catalytic studies in bio- and biomimetic chemistry. Audience: Research chemists interested in the use of oxygenases in catalysis.

Supercritical fluids which are neither gas nor liquid, but can be compressed gradually from low to high density, are gaining increasing importance as tunable solvents and reaction media in the chemical process industry. By adjusting the pressure, or more strictly the density, the properties of these fluids are customized and manipulated for the particular process at hand, be it a physical transformation, such as separation or solvation, or a chemical transformation, such as a reaction or reactive extraction. Supercritical fluids, however, differ from both gases and liquids in many respects. In order to properly understand and describe their properties, it is necessary to know the implications of their nearness to criticality, to be aware of the complex types of phase separation (including solid phases) that occur when the components of the fluid mixture are very different from each other, and to develop theories that can cope with the large differences in molecular size and shape of the supercritical solvent and the solutes that are present.