The series Structure and Bonding publishes critical reviews on topics of research concerned with chemical structure and bonding. The scope of the series spans the entire Periodic Table and addresses structure and bonding issues associated with all of the elements. It also focuses attention on new and developing areas of modern structural and theoretical chemistry such as nanostructures, molecular electronics, designed molecular solids, surfaces, metal clusters and supramolecular structures. Physical and spectroscopic techniques used to determine, examine and model structures fall within the purview of Structure and Bonding to the extent that the focus is on the scientific results obtained and not on specialist information concerning the techniques themselves. Issues associated with the development of bonding models and generalizations that illuminate the reactivity pathways and rates of chemical processes are also relevant.

The individual volumes in the series are thematic. The goal of each volume is to give the reader, whether at a university or in industry, a comprehensive overview of an area where new insights are emerging that are of interest to a larger scientific audience. Thus each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years should be presented using selected examples to illustrate the principles discussed. A description of the physical basis of the experimental techniques that have been used to provide the primary data may also be appropriate, if it has not been covered in detail elsewhere. The coverage need not be exhaustive in data, but should rather be conceptual, concentrating on the new principles being developed that will allow the reader, who is not a specialist in the area covered, to understand the data presented. Discussion of possible future research directions in the area is welcomed. Review articles for the individual volumes are invited by the volume editors.

This textbook is the result of the enhancement of several courses on non-equilibrium statistics, stochastic processes, stochastic differential equations, anomalous diffusion and disorder. The target audience includes students of physics, mathematics, biology, chemistry, and engineering at undergraduate and graduate level with a grasp of the basic elements of mathematics and physics of the fourth year of a typical undergraduate course. The little-known physical and mathematical concepts are described in sections and specific exercises throughout the text, as well as in appendices. Physical-mathematical motivation is the main driving force for the development of this text. It presents the academic topics of probability theory and stochastic processes as well as new educational aspects in the presentation of non-equilibrium statistical theory and stochastic differential equations.. In particular it discusses the problem of irreversibility in that context and the dynamics of Fokker-Planck. An introduction on fluctuations around metastable and unstable points are given. It also describes relaxation theory of non-stationary Markov periodic in time systems. The theory of finite and infinite transport in disordered networks, with a discussion of the issue of anomalous diffusion is introduced. Further, it provides the basis for establishing the relationship between quantum aspects of the theory of linear response and the calculation of diffusion coefficients in amorphous systems.

This book helps advanced undergraduate, graduate and postdoctoral students in their daily work by offering them a compendium of numerical methods. The choice of methods pays significant attention to error estimates, stability and convergence issues as well as to the ways to optimize program execution speeds. Many examples are given throughout the chapters, and each chapter is followed by at least a handful of more comprehensive problems which may be dealt with, for example, on a weekly basis in a one- or two-semester course. In these end-of-chapter problems the physics background is pronounced, and the main text preceding them is intended as an introduction or as a later reference. Less stress is given to the explanation of individual algorithms. It is tried to induce in the reader an own independent thinking and a certain amount of scepticism and scrutiny instead of blindly following readily available commercial tools.

This book is the translated and commented autobiography of Wilhelm Ostwald (1853-1932), who won the Nobel Prize for Chemistry in 1909. It is the first translation of the German original version "Lebenslinien: Eine Selbstbiographie," published by Ostwald in 1926/27, and has been painstakingly translated. The book includes comments and explanations, helping readers to understand Ostwald's text in the historical context of Germany at the beginning of the 20th century.In his autobiography, Ostwald describes his impressive research career and his life from his own personal view. Readers will find information on how Ostwald immortalized himself through his research on catalysis, chemical equilibria, technical chemistry, and especially as one of the founders of modern physical chemistry. His broad interests in science, ranging from philosophy to the theory of colors and the idea of a universal scientific language are further remarkable aspects covered.This work will appeal to a broad audience of contemporary scientists: Wilhelm Ostwald has been tremendously influential for the development of chemistry and science, and many of today's best-known international scientific schools can be traced back to Ostwald's students. Ostwald was active in Germany and what is now Latvia and Estonia, while also travelling to the USA, England and France. In his discussions and analyses of the working conditions of the time, readers will find many issues reflected that continue to be of relevance today.

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 37 covers literature published from July 2004 to June 2007. 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.

Chemical Modelling: Applications and Theory comprises critical literature reviews of molecular modelling, both theoretical and applied. Molecular modelling in this context refers to modelling the structure, properties and reactions of atoms, molecules & materials. Each chapter is compiled by experts in their fields and provides a selective review of recent literature, incorporating sufficient historical perspective for the non-specialist to gain an understanding. With chemical modelling covering such a wide range of subjects, this Specialist Periodical Report serves as the first port of call to any chemist, biochemist, materials scientist or molecular physicist needing to acquaint themselves with major developments in the area. Volume 6 examines the literature published between June 2007 and May 2008

This user friendly introduction highlights the importance of electrochemistry and its applications to the modern world and the future. In contrast to other texts currently available, it emphasises understanding and avoids using many pages of complex equations. It also describes the diverse applications of electrochemistry rather than focusing on analytical chemistry alone. Although the book follows a similar structure to the first edition, the earlier chapters have been extensively up-dated and the later chapters are entirely new. The text is supported by a large number of figures which illustrate key points. The book starts by describing the essential electrochemical techniques before moving on to cover experimental problems and applications. To reflect the present interest in fuel cells and the environment, these have become the focus of the final chapters. A useful appendix contains problems with fully worked answers to test the reader's understanding.

"Polymeric and Nanostructured Macromolecules" presents the recent advances made in the synthesis, characterization, and applications of polymeric macromolecules.

This book provides an excellent overview of the recent breakthroughs in the science of macromolecules, with an emphasis on nanostructured macromolecules and the perspectives that these versatile materials offer to different fields such as optoelectronics and biotechnology.

Advanced undergraduate, graduate students and researchers alike will find the topics concerning physical and chemical properties of advanced macromolecular materials of great interest.

This text contains a collection of lectures presented at the NATO ASI on "Frontiers of Chemical Dynamics" in Kemer, Turkey. Even though these articles include and sometimes emphasize the latest developments in corresponding research fields, they all share a common denominator, namely, they are intended as lectures for students at various levels as well as scientists entering a new field. It can, therefore, be used as a supplementary textbook for graduate courses on chemical dynamics. The various aspects of dynamical problems are discussed by experimentalists, theoreticians and those who carry out "numerical experiments", although it is not always easy to distinguish between theory and experiment. Most of the topics discussed offer different approaches to the same problem which will give an overall picture.

The principal focus of this volume is to illustrate the level of accuracy currently achievable by "ab initio" quantum chemical calculations. While new developments in theory are discussed to some extent, the major emphasis is on a comparison of calculated properties with experiments. This focus is similar to the one taken in the book, "Comparison of Ab Initio Quantum Chemistry with Experiment for Small Molecules", edited by Rodney Bartlett (Reidel, 1984). However, the phenomenal improvement in both theoretical methods and computer architecture have made it possible to obtain accurate results for rather large molecular systems. For example, the electronic spectra of the nucleic acid base monomer structures shown on the front cover have been obtained using a fully correlated "ab initio" study. This text is intended for researchers, teachers and students in chemistry and physics.

This book focuses on the combustion performance and application of innovative energetic materials for solid and hybrid space rocket propulsion. It provides a comprehensive overview of advanced technologies in the field of innovative energetic materials and combustion performance, introduces methods of modeling and diagnosing the aggregation/agglomeration of active energetic metal materials in solid propellants, and investigates the potential applications of innovative energetic materials in solid and hybrid propulsion. In addition, it also provides step-by-step solutions for sample problems to help readers gain a good understanding of combustion performance and potential applications of innovative energetic materials in space propulsion. This book serves as an excellent resource for researchers and engineers in the field of propellants, explosives, and pyrotechnics.

The study of fluctuations in statistical physics has a long history, and a general theory is well established, connecting fluctuations to response properties of equilibrium systems. Remarkably, this framework fails as soon as some current is flowing across the system, driving it out of equilibrium. The presence of currents is quite common in nature and produces rich phenomena which are far from being included in a general framework. This thesis focuses on this general problem by studying different models such as granular materials and systems exhibiting anomalous diffusion and shows how the generalized response techniques can be successfully used to catch the relevant degrees of freedom that drive the systems out of equilibrium. This study paves the way to the use of the generalized fluctuation relations in an operative way, in order to extract information from a non-equilibrium system and to build the corresponding phenomenological theory.

Computational methods, and in particular quantum chemistry, have taken the lead in our growing understanding of noncovalent forces, as well as in their categorization. This volume describes the current state of the art in terms of what we now know, and the current questions requiring answers in the future. Topics range from very strong (ionic) to very weak (CH-- ) interactions. In the intermediate regime, forces to be considered are H-bonds, particularly CH--O and OH--metal, halogen, chalcogen, pnicogen and tetrel bonds, aromatic stacking, dihydrogen bonds, and those involving radicals. Applications include drug development and predictions of crystal structure.

Despite the fact that chemical applications of ultrasound are now widely acknowledged, a detailed presentation of inorganic systems covering nano-particles, catalysis, aqueous chemistry of metallic solutions and their redox characteristics, both from a theoretical and experimental perspective has eluded researchers of this field.

"Theoretical and Experimental Sonochemistry Involving Inorganic Systems" fills this gap and presents a concise and thorough review of this fascinating area of Sonochemistry in a single volume.

This thesis focuses on the bottom-up design, construction and operation of supramolecular systems capable of behaving as devices and machines on the molecular scale, which is a topic of great interest in nanoscience and a fascinating challenge in nanotechnology. In particular, the systems investigated here include: polyviologen dendrimers capable of behaving as hosts and chargestoring devices; molecular machines based on pseudorotaxanes/rotaxanes and operated by photoinduced proton transfer, or photoisomerization reactions; and a simple unimolecular multiplexer/demultiplexer. The systems have been characterized using a variety of techniques including absorption and emission spectra, laser flash photolysis, NMR spectroscopy, electrochemical experiments, stopped flow measurements. This research addresses a large number of open problems in the nanosciences, dealing with a wide range of the most advanced applications of supramolecular systems.

This book introduces carbon nanotubes as a matrix for efficient nanohybrid catalysis. The preparation and use of such materials in ultra-grade water purification is described. Simple chemical methods for purification and functionalization of carbon nanotubes prior to their use is also detailed. The author also discusses the potential use of nanotube-based nanobiohybrid catalysts in the removal of organic pollutants.

The understanding in science implies insights from several different points of view. Alternative modern outlooks on electronic structure of atoms and molecules, all rooted in quantum mechanics, are presented in a single text. Together these complementary perspectives provide a deeper understanding of the localization of electrons and bonds, the origins of chemical interaction and reactivity behavior, the interaction between the geometric and electronic structure of molecules, etc. In the opening two parts the basic principles and techniques of the contemporary computational and conceptual quantum chemistry are presented, within both the wave-function and electron-density theories. This background material is followed by a discussion of chemical concepts, including stages of the bond-formation processes, chemical valence and bond-multiplicity indices, the hardness/softness descriptors of molecules and reactants, and general chemical reactivity/stability principles. The insights from Information Theory, the basic elements of which are briefly introduced, including the entropic origins and Orbital Communication Theory of the chemical bond, are the subject of Part IV. The importance of the non-additive (interference) information tools in exploring patterns of chemical bonds and their covalent and ionic components will be emphasized.

Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area. This volume continues the tradition with high quality and thorough reviews of various aspects of quantum chemistry. It contains a variety of topics on the use of quantum mechanical methods to calculate molecular properties including response properties. Linear and non-linear response methods have been developed and implemented for most of the approximate wave functions used in quantum chemistry, giving a range of computational methods of varying cost and accuracy. Thus it is presently possible to calculate for example excitation energies, linear and nonlinear optical properties, one- and multi-photon transition rates, and magnetically induced transition moments for a wide range of molecules and target accuracies. These calculations aid in the interpretation of a wide range of spectroscopy including electron spin resonance, nuclear magnetic resonance and magnetic circular dichroism and general laser spectroscopy.

This new volume of Modern Aspects of Electrochemistry reviews different methods for the production of metal powders including mechanical, chemical and electrochemical powders. Electrochemically produced metal powders are of high purity and they are extremely active during sintering. These powders find a wide-range of applications in automotive, aerospace, energy device and electronics industries.

"Fundamental Aspects of Plasma Chemical Physics - Thermodynamics" develops basic and advanced concepts of plasma thermodynamics from both classical and statistical points of view.

After a refreshment of classical thermodynamics applied to the dissociation and ionization regimes, the book invites the reader to discover the role of electronic excitation in affecting the properties of plasmas, a topic often overlooked by the thermal plasma community.

Particular attention is devoted to the problem of the divergence of the partition function of atomic species and the state-to-state approach for calculating the partition function of diatomic and polyatomic molecules. The limit of ideal gas approximation is also discussed, by introducing Debye-Huckel and virial corrections.

Throughout the book, worked examples are given in order to clarify concepts and mathematical approaches.

This book is a first of a series of three books to be published by the authors on fundamental aspects of plasma chemical physics. The next books will discuss transport and kinetics.

"

How can we obtain tools able to process and exchange information at the molecular scale? In order to do this, it is necessary to activate and detect single molecules under controlled conditions. This book focuses on the generation of biologically-inspired molecular devices. These devices are based on the developments of new photonic tools able to activate and stimulate single molecule machines. Additionally, new light sensitive molecules can be selectively activated by photonic tools. These technological innovations will provide a way to control activation of single light-sensitive molecules, allowing the investigation of molecular computation in a biological environment.

This book presents an overview of fundamental aspects of surface-based biosensors and techniques for enhancing their detection sensitivity and speed. It focuses on rapid detection using miniaturized sensors and describes the physical principles of nanoscale transducers, surface modifications, microfluidics and reaction engineering, diffusion and kinetics. A key challenge in the field of bioanalytical sensors is the rapid delivery of target biomolecules to the sensing surface. While various nanostructures have shown great promise in sensitive detection, diffusion-limited binding of analyte molecules remains a fundamental problem. Recently, many researchers have put forward novel schemes to overcome this challenge, such as nanopore channels, electrokinetics, and dielectrophoresis, to name but a few. This book provides the readers an up-to-date account on these technological advances.

Specialist Periodical Reports provide systematic and critical review coverage in major areas of chemical research. Compiled by teams of leading authorities in the relevant subject, the series creates a unique service for the active research chemist with regular critical in-depth accounts of progress in particular areas of chemistry. Subject coverage of all volumes is very similar and publication is on an annual or biennial basis. There is an increasing challenge for chemical industry and research institutions to find cost-effective 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 as well as 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. Volume 21 covers literature published during 2006.

Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area.
This volume continues the tradition with high quality and thorough reviews of various aspects of quantum chemistry. It contains a variety of topics that include an extended and in depth discussion on the calculation of analytical first derivatives of the energy in a similarity transformed equation of motion couples cluster method.

This book shows the availability and potential of the coupled acoustic-gravitational (CAG) field for trace-level biosensing. The proposed detection scheme also allows the evaluation of the kinetics and thermodynamics of the reaction occurring on a single microparticle (MP). This method has wide applicability in important fields, involving not only chemistry but also life, environmental, and medical sciences. The author proposes novel trace-level biosensing based on measurements of the levitation coordinate shift of an MP in the CAG field. The levitation coordinate of the MP in the CAG field is determined by its density and compressibility. The levitation coordinate shift is induced by the binding of gold nanoparticles (AuNPs) to the MP through interparticle reactions. Therefore, the quantity of molecules involved in the reaction can be determined from the levitation coordinate shift. The author demonstrates the zmol level detection for biotin, DNA/RNA, and organic molecules. In addition, the kinetics and thermodynamics are evaluated for various reactions occurring between the MP and AuNP, such as the avidin-biotin reaction, direct hybridization, sandwich hybridization, and aptamer-target complexation. This book provides a new concept based on the CAG field, in which the extent of a reaction is converted into the levitation coordinate shift, that is, "length." The proposed method has many advantages over other methods, e.g., high biocompatibility, high applicability, and short analysis time. In addition, because the apparatus used in this study is inexpensive and easy to miniaturize, this method is useful in important practical fields, such as forensic and environmental science and diagnosis. Thus, this book inspires many researchers to apply the present method to their own fields of interest.