Free radicals are used as reactive intermediates in a wide range of organic syntheses as well as playing an important role in biological systems and industrial processes. Free radical chemistry is a rapidly developing area, with applications not only in chemistry but also in processes related to the environment, biology, drug research and medicine. General Aspects of the Chemistry of Radicals is an introductory book, discussing methods of formation and detection of free radicals, the rate of their reactions and their thermochemistry. The book closely examines the reactivity of free radical reactions, rate constants and temperature dependence, important in predicting the behaviour of yet unstudied systems and validating reaction mechanisms. General Aspects of the Chemistry of Radicals is written for researchers working in environmental and material sciences, organic, inorganic and physical organic chemistry. It will also be of interest to biochemists and molecular biologists working with the effects of free radicals on living systems.

Amit Agarwal's thesis reports a substantial contribution to the microscopic simulation of radiation chemical reactions. In his research Agarwal extends existing models to further understand scavenging, spin and relaxation effects. This research has advanced the development of both the Monte Carlo Random Flights and the Independent Reaction Times (IRT) simulation tools. Particular highlights are the extension of these tools to include both the spin-exchange interaction and spin relaxation, both of which are influential in radiolytic systems where many reactions are spin-controlled. In addition, the study has led to the discovery of a novel correlation of the scavenging rate with the recombination time in low permittivity solvents. This finding goes against existing assumptions underlying the theory of diffusion kinetics while still being accommodated in the IRT method which demonstrates the power of this unconventional approach. The work in this thesis can be applied to a wide number of fields including the nuclear industry, medicine, food treatment, polymer curing, the preparation of nano-colloids, power generation and waste disposal.

Friction force microscopy is an important analytical tool in the field of tribology on the nanometer-scale. The contact area between the probing tip and the sample is reduced to some square nanometers, corresponding to the ideal of a single asperity contact. Traditional concepts, such as friction coefficients, adhesion and elasticity and stick-slip are re-examined with this novel technique. New concepts based upon classical and quantum mechanics are investigated.

The purpose of this book is to convey to the worldwide scientific community the rapid and enthusiastic progress of state-of-the-art quantum chemistry. Quantum chemistry continues to grow with remarkable success particularly due to rapid progress in supercomputers. The usefulness of quantum chemistry is almost limitless. Its application covers not only physical chemistry but also organic and inorganic chemistry, physics, and life sciences. This book deals with all of these topics. Frontiers of Quantum Chemistry is closely related to the symposium of the same name held at Kwansei Gakuin University at Nishinomiya, Japan, in November 2015. The book's contributors, however, include not only invited speakers at the symposium but also many other distinguished scientists from wide areas of quantum chemistry around the world.

Rasmus Brogaard's thesis digs into the fundamental issue of how the shape of a molecule relates to its photochemical reactivity. This relation is drastically different from that of ground-state chemistry, since lifetimes of excited states are often comparable to or even shorter than the time scales of conformational changes. Combining theoretical and experimental efforts in femto-second time-resolved photoionization Rasmus Brogaard finds that a requirement for an efficient photochemical reaction is the prearrangement of the constituents in a reactive conformation.
Furthermore, he is able to show that by exploiting a strong ionic interaction between two chromophores, a coherent molecular motion can be induced and probed in real-time. This way of using bichromophoric interactions provides a promising strategy for future research on conformational dynamics.

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.

This book of general analytical chemistry - as opposed to instrumental analysis or separation methods - in aqueous solutions is focuses on fundamentals, which is an area too often overlooked in the literature. Explanations abound of the chemical and physical principles of different operations of chemical analysis in aqueous solutions. Once these principle are firmly established, numerous examples of applications are also given.

Urea-SCR Technology for deNOx After Treatment of Diesel Exhausts presents a complete overview of the selective catalytic reduction of NOx by ammonia/urea. The book starts with an illustration of the technology in the framework of the current context (legislation, market, system configurations), covers the fundamental aspects of the SCR process (catalysts, chemistry, mechanism, kinetics) and analyzes its application to useful topics such as modeling of full scale monolith catalysts, control aspects, ammonia injections systems and integration with other devices for combined removal of pollutants.

This book presents a comprehensive survey about conducting polymers and their hybrids with different materials. It highlights the topics pertinent to research and development in academia and in the industry. The book thus discusses the preparation and characterization of these materials, as well as materials properties and their processing. The current challenges in the field are addressed, and an outline on new and even futuristic approaches is given. "Conducting Polymer Hybrids" is concerned with a fascinating class of materials with the promise for wide-ranging applications, including energy generation and storage, supercapacitors, electronics, display technologies, sensing, environmental and biomedical applications. The book covers a large variety of systems: one-, two-, and three-dimenstional composites and hybrids, mixed at micro- and nanolevel.

After his first book on the topic "Specific Intermolecular Interactions of Organic Compounds", Baev extends in this book the development of the thermodynamic theory of specific intermolecular interactions to a wider spectrum of nitrogenated and bioorganic compounds: amino alcohols, amino acids, peptides and urea derivatives. The fundamentals of an unconventional approach to the theory of H-bonding and specific interactions are formulated based on a concept of penta- coordinated 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 new concept of the extra stabilizing effect of isomeric methyl groups on the structure and stability of nitrogenated organic molecules and bioorganic compounds is introduced and the destabilization action on specific interactions is outlined.

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.

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.

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.

"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 Springer Laboratory volume is a practical guide for scientists and students dealing with the measurement of mechanical properties of polymers at the nanoscale through AFM force-distance curves. In the first part of the book the reader will find a theoretical introduction about atomic force microscopy, focused on force-distance curves, and mechanical properties of polymers. The discussion of several practical issues concerning the acquisition and the interpretation of force-distance curves will help scientists starting to employ this technique. The second part of the book deals with the practical measurement of mechanical properties of polymers by means of AFM force-distance curves. Several "hands-on" examples are illustrated in a very detailed manner, with particular attention to the sample preparation, data analysis, and typical artefacts. This section gives a complete overview about the qualitative characterization and quantitative determination of the mechanical properties of homogeneous polymer samples, polymer brushes, polymer thin films, confined polymer samples, model blends and microstructured polymer blends through AFM force-distance curves. The book also introduces to new approaches and measurement techniques, like creep compliance and force modulation measurements, pointing out approximations, limitations and issues requiring further confirmation.

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.

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. All chapters from Topics in Heterocyclic Chemistry are published Online First with an individual DOI. In references, Topics in Heterocyclic Chemistry is abbreviated as Top Heterocycl Chem and cited as a journal.

The science and technology relating to nanostructures continues to receive significant attention for its applications to various fields including microelectronics, nanophotonics, and biotechnology. This book describes the basic quantum mechanical principles underlining this fast developing field. From the fundamental principles of quantum mechanics to nanomaterial properties, from device physics to research and development of new systems, this title is aimed at undergraduates, graduates, postgraduates, and researchers.

The book provides a systematic view on flammability and a collection of solved engineering problems in the fields of dilution and purge, mine gas safety, clean burning safety and gas suppression modeling. For the first time, fundamental principles of energy conservation are used to develop theoretical flammability diagrams and are then explored to understand various safety-related mixing problems. This provides the basis for a fully-analytical solution to any flammability problem. Instead of the traditional view that flammability is a fundamental material property, here flammability is discovered to be a result of the explosibility of air and the ignitability of fuel, or a process property. By exploring the more fundamental concepts of explosibility and ignitability, the safety targets of dilution and purge can be better defined and utilized for guiding safe operations in process safety. This book provides various engineering approaches to mixture flammability, benefiting not only the safety students, but also field operators, as a useful resource for the safe handling of flammable gases and liquids. It will be useful to anyone who worries about the ignition potential of a flammable mixture.

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 volume expands upon the collection of techniques published in Protein Electrophoresis: Methods and Protocols (2012) with more practical and reproducible methods to study protein gel detection and imaging. The chapters in this book cover topics such as coomassie-brilliant blue staining of polyacrylamide gels; silver staining techniques; microwave assisted protein staining, de-staining, and in-solution digestion of proteins; curumin and turmeric as an environment-friendly protein gel stain; in-gel protein phosphotase assay using fluorogenic substrates; destaining with fungal laccase; and radiolabeling and analysis of labeled proteins. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and tips on troubleshooting and avoiding known pitfalls. Comprehensive and practical, Protein Gel Detection and Imaging: Methods and Protocols is a valuable resource for expert and novice scientists and researchers who are interested in learning and experimenting with this field.

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.

There is an increasing need to find cost-effective and environmentally sound methods of converting natural resources into fuels, chemicals and energy; catalysts are pivotal to such processes. Catalysis highlights major developments in this area. Coverage of this Specialist Periodical Report includes all major areas of heterogeneous catalysis. n each volume, specific areas of current interest are reviewed. Examples of topics include experimental methods, acid/base catalysis, materials synthesis, environmental catalysis, and syngas conversion.

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.

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.