This volume of Modern Aspects contains a remarkable spread of topics covered in an authoritative manner by some internationally renowned specialists. In a seminal chapter Drs. Babu, Oldfield and Wieckowski demonstrate eloquently the strength of electrochemical nuclear magnetic resonance (EC-NMR) to study in situ both sides of the electrochemical interface via the simultaneous use of and This powerful non-invasive technique brings new insights to both fundamental and practical key aspects of electrocatalysis, including the design of better anodes for PEM fuel cells. The recent impressive advances in the use of rigorous ab initio quantum chemical calculations in electrochemistry are described in a remarkable chapter by Marc Koper, one of the leading protagonists in this fascinating area. This lucid chapter is addressed to all electrochemists, including those with very little prior exposure to quantum chemistry, and demonstrates the usefulness of ab initio calculations, including density functional theory (DFT) methods, to understand several key aspects of fuel cell electrocatalysis at the molecular level. The most important macroscopic and statistical thermodynamic models developed to describe adsorption phenomena on electrodes are presented critically in a concise and authoritative chapter by Panos Nikitas. The reader is guided through the seminal contributions of Frumkin, Butler, Bockris, Guidelli and others, to the current state of the art adsorption isotherms, which are both rigorous, and in good agreement with experiment.

The book is devoted to the problem of microgeometry properties and anisotropy relations in modern piezo-active composites. These materials are characterized by various electromechanical properties and remarkable abilities to convert mechanical energy into electric energy and vice versa. Advantages of the performance of the composites are discussed in the context of the orientation effects, first studied by the authors for main connectivity patterns and with due regard to a large anisotropy of effective piezoelectric coefficients and electromechanical coupling factors. The novelty of the book consists in the systematization results of orientation effects, the anisotropy of piezoelectric properties and their role in forming considerable hydrostatic piezoelectric coefficients, electromechanical coupling factors and other parameters in the composites based on either ferroelectric ceramic or relaxor-ferroelectric single crystals.

This text is designed as a practical introduction to quantum chemistry. Quantum chemistry is applied to explain and predict molecular spectroscopy and the electronic structure of atoms and molecules. In addition, the text provides a practical guide to using molecular mechanics and electronic structure computations including ab initio, semi-empirical, and density functional methods. The use of electronic structure computations is a timely subject as its applications in both theoretical and experimental chemical research is increasingly prevalent. This text is written in a format that fosters mastery of the subject both in competency in the mathematics and in obtaining a conceptual understanding of quantum mechanics. The chemistry student's interest is maintained early on in the text where quantum mechanics is developed by applying it to molecular spectroscopy and through conceptual questions labeled as Chemical Connection. Questions throughout the text labeled as Chemical Connection and Points of Further Understanding focus on conceptual understanding and consequences of quantum mechanics. If an Instructor chooses, these questions can be used as a basis for classroom discussion encouraging cooperative learning techniques. This text provides a solid foundation from which students can readily build further knowledge of quantum chemistry in more advanced courses. In cases where this is a final course in quantum chemistry, this text provides the student not only with an appreciation of the importance of quantum mechanics to chemistry, but also with a practical guide to using electronic structure computations.

The book deals with recent scientific highlights on molecular magnetism in Europe. Molecular magnetism is a new interdisciplinary discipline gathering together chemists and physicists, theoreticians and experimentalists. The book intends to provide the reader with documented answers to some current questions. How chemists can use soft conditions to transform molecules in light and transparent magnets? How a molecular system can behave as a single molecule magnet? How to combine several functions in the same molecular system? How light can be used to switch molecular magnetic properties? How can molecules be used for ultimate high density information storage or in quantum computing? What kind of methods do physicists develop and use to explore these new properties of matter? What kind of concepts and calculations can be provided for theoreticians to design new objects and to better understand the field and to enlarge its exciting developments?

Today high magnetic fields play an increasingly important role in many scientific fields. Formerly their use was largely restricted to the measurement of physical phenomena and the characterization of materials. But more recently they have found application in many new areas such as materials processing, crystal growth, and even in chemistry and biology. This book gives a broad survey of some of the most exciting recent applications of high magnetic fields, with the emphasis on materials science. These include, among others, the study of conventional and high-Tc superconductors, semiconductors, low-dimensional organic conductors, conducting polymers and protein crystallization. Each chapter begins with a general introduction and goes on to present detailed experimental results together with their interpretation. Researchers and students alike will find this book an excellent introduction to, and overview of current applications of static high magnetic fields.

This textbook sets out to enable readers to understand fundamental aspects underlying quantum macroscopic phenomena in solids, primarily through the modern experimental techniques and results. The classic independent-electrons approach for describing the electronic structure in terms of energy bands helps explain the occurrence of metals, insulators and semiconductors. It is underlined that superconductivity and magnetism can only be understood by taking into account the interactions between electrons. The text recounts the experimental observations that have revealed the main properties of the superconductors and were essential to track its physical origin. While fundamental concepts are underlined, those which are required to describe the high technology applications, present or future, are emphasized as well. Problem sets involve experimental approaches and tools which support a practical understanding of the materials and their behaviour.

The book is about calorimetry and thermal analysis methods, alone or linked to other techniques, as applied to the characterization of catalysts, supports and adsorbents, and to the study of catalytic reactions in various domains: air and wastewater treatment, clean and renewable energies, refining of hydrocarbons, green chemistry, hydrogen production and storage. The book is intended to fill the gap between the basic thermodynamic and kinetics concepts acquired by students during their academic formation, and the use of experimental techniques such as thermal analysis and calorimetry to answer practical questions. Moreover, it supplies insights into the various thermal and calorimetric methods which can be employed in studies aimed at characterizing the physico-chemical properties of solid adsorbents, supports and catalysts, and the processes related to the adsorption desorption phenomena of the reactants and/or products of catalytic reactions. The book also covers the basic concepts for physico-chemical comprehension of the relevant phenomena. Thermodynamic and kinetic aspects of the catalytic reactions can be fruitfully investigated by means of thermal analysis and calorimetric methods, in order to better understand the sequence of the elemental steps in the catalysed reaction. So the fundamental theory behind the various thermal analysis and calorimetric techniques and methods also are illustrated.

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. 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 of major developments in the area. 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. Current subject areas covered are Amino Acids, Peptides and Proteins, Carbohydrate Chemistry, Catalysis, Chemical Modelling. Applications and Theory, Electron Paramagnetic Resonance, Nuclear Magnetic Resonance, Organometallic Chemistry. Organophosphorus Chemistry, Photochemistry and Spectroscopic Properties of Inorganic and Organometallic Compounds. From time to time, the series has altered according to the fluctuating degrees of activity in the various fields, but these volumes remain a superb reference point for researchers.

Forensic DNA profiling procedures are mainly based on high resolution and high throughput capillary electrophoresis separation and detection systems of PCR amplicons obtained from DNA genomic markers with different inheritance patterns. In DNA Electrophoresis Protocols for Forensic Genetics, expert researchers in the field detail many of the protocols and methods which are now commonly used to perform forensic DNA profiling. It includes protocols for profiling of autosomal STRs, Y-STRs, X-STRs, autosomal SNPs, INDELS, Y-SNPs, mtDNA-SNPs, and mtDNA hypervariable regions HV1 and HV2 . Protocols for molecular identification of non-human species and mRNA profiling for body fluid identification are also included. Written in the highly successful Methods in Molecular Biology (TM) series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and key tips on troubleshooting and avoiding known pitfalls.

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

Crystal growth and nucleation are treated in the specialized literature in different ways depending on the discipline in question (physics, physical chemistry, chemical engineering) and on the theoretical approaches (atomistic vs continuum approach as regards crystal growth, phase vs chemical concept as regards nucleation). This book relates the different approaches to one another, giving preference to atomistic treatments by the methods of statistical thermodynamics and chemical kinetics. This unified approach also facilitates an understanding of some related phenomena of surface physics, such as adsorption, wetting etc. The book allows research novices and graduate students to get an insight into the physics of the phenomena and to interpret some of the experimental results.

This book gives a representative survey of the state of the art of research on gas-surface interactions. It provides an overview of the current understanding of gas surface dynamics and, in particular, of the reactive and non-reactive processes of atoms and small molecules at surfaces. Leading scientists in the field, both from the theoretical and the experimental sides, write in this book about their most recent advances. Surface science grew as an interdisciplinary research area over the last decades, mostly because of new experimental technologies (ultra-high vacuum, for instance), as well as because of a novel paradigm, the 'surface science' approach. The book describes the second transformation which is now taking place pushed by the availability of powerful quantum-mechanical theoretical methods implemented numerically. In the book, experiment and theory progress hand in hand with an unprecedented degree of accuracy and control. The book presents how modern surface science targets the atomic-level understanding of physical and chemical processes at surfaces, with particular emphasis on dynamical aspects. This book is a reference in the field.

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.

The purpose of this book is to bring together current scientific understanding of wetting behaviour that has been gained from theoretical models and quantitative experimental observations. The materials considered are liquid metals or inorganic glasses in contact with solid metals or ceramics at temperatures of 200-2000oC.
Wetting has been a significant scientific concern for the last two centuries and reference will be made to classical work by nineteenth century scientists such as Dupre, Laplace and Young that was validated by observations of the behaviour of chemically inert ambient temperature systems.
In attempting to achieve the aims of the book, the text has been divided into ten Chapters that can be grouped into four stages of presentation. The first stage comprises two Chapters that review established and newly developed models for their relevance to wetting behaviour at high temperatures, including recent models that encompass the role of chemical reactions at the solid/liquid interfaces. Attention is paid both to equilibrium wetting behaviour (Chapter 1) and to the factors that control the approach to equilibrium (Chapter 2). Then follow Chapters concerned with experimental techniques for scientific measurement of the extent of wetting (Chapter 3) and with the surface energy data for both metals and non-metals that are essential for quantitative interpretation of wetting behaviour (Chapter 4). Descriptions of experimentally determined and quantified wetting behaviour are presented and interpreted in the third part comprising five Chapters dealing with the characteristics of metal/metal, metal/oxide, metal/non-oxide, metal/carbon and molten glass/solid systems. The book concludes with a Chapter commenting on the role of wetting behaviour in joining similar and dissimilar materials by liquid route techniques.

This book, generated from several EPA documents, initially covers the legal disposal of solvents, but suggests several alternatives and possible ways to reduce the amount of solvents left over during manufacturing processes.

Solid Oxide Fuel Cells (SOFCs) operate at high temperatures allowing more fuel flexibility and also useful heat output and so increase total efficiency, but does give some interesting engineering challenges." ""Solid Oxide Fuels Cells: Facts and Figures" provides clear and accurate data for a selection of SOFC topics from the specific details of Ni cermet anodes, chemical expansion in materials, and the measuring and modelling of mechanical stresses, to the broader scope of the history and present design of cells, to SOFC systems and the future of SOFC.

Celebrating Ulf Bossel s work on Solid Oxide Fuel Cells, and especially his running of the European Fuel Cell Forum, " ""Solid Oxide Fuels Cells: Facts and Figures" covers important topics on the way including intermediate temperature fuel cells, metal supported fuel cells and both new materials and engineering solutions to some of the challenges of getting SOFC to market. The chapters are based on the special plenary talks given by some of the most respected and talented people in the field at the 2010 European SOFC Forum in Luzern and the title for this book comes from the report produced by Ulf for the IEA Final Report on SOFC Data, Facts and Figures, Swiss Federal Office of Energy, Berne, 1992.

The comprehensive nature of" ""Solid Oxide Fuels Cells: Facts and Figures" makes it a key resource of SOFC topics for students, lecturers, researchers and industry practitioners alike.

Celebrating Ulf Bossel s work on Solid Oxide Fuel Cells, and especially his running of the European Fuel Cell Forum, " ""Solid Oxide Fuels Cells: Facts and Figures" covers important topics on the way including intermediate temperature fuel cells, metal supported fuel cells and both new materials and engineering solutions to some of the challenges of getting SOFC to market. The chapters are based on the special plenary talks given by some of the most respected and talented people in the field at the 2010 European SOFC Forum in Luzern and the title for this book comes from the report produced by Ulf for the IEA Final Report on SOFC Data, Facts and Figures, Swiss Federal Office of Energy, Berne, 1992.

The comprehensive nature of" ""Solid Oxide Fuels Cells: Facts and Figures" makes it a key resource of SOFC topics for students, lecturers, researchers and industry practitioners alike.

The comprehensive nature of" ""Solid Oxide Fuels Cells: Facts and Figures" makes it a key resource of SOFC topics for students, lecturers, researchers and industry practitioners alike."

Reinforce students' understanding throughout their course; clear topic summaries with sample questions and answers will improve exam technique to achieve higher grades. Written by examiners and teachers, Student Guides: * Help students identify what they need to know with a concise summary of the topics examined in the AS and A-level specification * Consolidate understanding with exam tips and knowledge check questions * Provide opportunities to improve exam technique with sample graded answers to exam-style questions * Develop independent learning and research skills * Provide the content for generating individual revision notes

This book covers whole aspects of the sulfur isologues of amides. Starting from the synthetic methods of thioamides, a range of synthetic applications to the construction of carbon-sulfur and carbon-carbon bonds, to asymmetric reactions, to formation of heterocycles are described. Among the array of thiocarbonyl compounds, thioamides are readily handled in room temperature air. Some of their characteristic features are that the polarity of C=S bonds in thioamides is much smaller than C=O bonds in ordinary amides, that thioamides possess higher HOMO and lower LUMO when compared with those of ordinary amides, and that carbon atoms alpha to the C=S and nitrogen atoms in thioamides are more acidic than those in ordinary amides. Theoretical studies further disclose their features. Thioamides are also used as ligands to a wide variety of metals. Their unique photophysical properties and catalytic activities are described here. Characteristic features of biologically relevant thioamides, e.g., thiopeptides and related compounds, are the final focus of the book.

This lecture notesbook presents how enhanced structural information of biomolecular ionscan be obtainedfrom interaction with photons of specific frequency - laser light. The methods described in the book ""Laser photodissociation and spectroscopy of mass-separated biomolecular ions"" make use of the fact that the discrete energy and fast time scale of "photoexcitation "can provide more control in ion activation. This activation is the crucial process producing structure-informative product ions that cannot be generated with more conventional heating methods, such as collisional activation. The book describes how the powerful separation capabilities and sensitivity of mass spectrometry (MS) can be combined with the structural insights from spectroscopy by measuring vibrational and electronic spectra of trapped analytes. The implementation of laser-based "photodissociation "techniques in MS requires basic knowledge of tunable light sources and ion trapping devices.

This book introduces the reader to key concepts and approaches in molecular spectroscopy, and the light sources and ion traps employed in such experiments. The power of the methods is demonstrated by spectroscopic interrogation of a range of important biomolecular systems, including "peptides," "proteins," and "saccharides," with laser light in the ultraviolet-visible, and infrared range. The book ""Laser photodissociation and spectroscopy of mass-separated biomolecular ions"" isan indispensable resource for students and researchers engaged or interestedin this emerging field. It provides the solid background of key concepts and technologies for the measurements, discusses state-of-the-art experiments, and provides an outlook on future developments and applications."

Computational methods have become an indispensible tool for elucidating the mechanism of organometallic reactions. This snapshot of state-of-the-art computational studies provides an overview of the vast field of computational organometallic chemistry. Authors from Asia, Europe and the US have been selected to contribute a chapter on their specialist areas. Topics addressed include: DFT studies on zirconium-mediated reactions, force field methods in organometallic chemistry, hydrogenation of -systems, oxidative functionalization of unactivated C-H bonds and olefins, the osmylation reaction, and cobalt carbonyl clusters. The breadth and depth of the contributions demonstrate not only the crucial role that computational methods play in the study of a wide range of organometallic reactions, but also attest the robust health of the field, which continues to benefit from, as well as inspire novel experimental studies.

This book, a consecutive contribution to the series Challenges and Advances in Computational Chemistry and Physics, focuses on understanding the photoinduced processes in biological systems. Understanding and fine control of light fate in molecules is vital for the progress of society and environmental safety. Light induced changes of various physico-chemical and spectroscopic properties in nucleic acids and proteins is the basis of fundamental biological events such as vision, DNA photodamage or photosensing. The investigation of these processes is challenging to both theoretical and experimental studies. This volume encompasses the quantum mechanics/molecular mechanics theory in several subfields, including: advanced computational methods for nucleic acids and proteins systems; dynamics, spectroscopic and physico-chemical properties of biological photoreceptors; DNA photodamage. This book is of interest to readers in both fundamental and application-oriented research by overviewing recent achievements in computational modeling of excited states in nucleic acids and proteins.

The book is an up-to-date introduction to the fundamentals of the initial stages of Electrocrystallization, which are dominated by nucleation and growth of the first clusters of the new phase. It offers a readable exposition of the topic, in simple terms, providing a detailed theoretical description of the phenomena involved. The most relevant aspects of the experimental studies of electrochemical nucleation and growth are considered, as well, including some important methods for acquiring and analyzing experimental results.

Having specific properties quite different from those of bulk materials, these small, nano-clusters have always attracted considerable attention, and many sophisticated methods have been developed for cluster studies. In spite of this, information on small clusters can still be obtained by simple experiments, and the book shows that Electrocrystallization is unique in this respect. In this special case the phase change may be controlled experimentally by controlling the voltage and current, two simple and easily measurable electrical quantities. Certainly, this is what makes electrochemical systems an attractive object of study both from a scientific and from a practical point of view.

In a ?rst approximation, certainly rough, one can de?ne as non-crystalline materials those which are neither single-crystals nor poly-crystals. Within this category, we canincludedisorderedsolids,softcondensed matter,andlivesystemsamong others. Contrary to crystals, non-crystalline materials have in common that their intrinsic structures cannot be exclusively described by a discrete and periodical function but by a continuous function with short range of order. Structurally these systems have in common the relevance of length scales between those de?ned by the atomic and the macroscopic scale. In a simple ?uid, for example, mobile molecules may freely exchange their positions, so that their new positions are permutations of their old ones. By contrast, in a complex ?uid large groups of molecules may be interc- nected so that the permutation freedom within the group is lost, while the p- mutation between the groups is possible. In this case, the dominant characteristic length, which may de?ne the properties of the system, is not the molecular size but that of the groups. A central aspect of some non-crystalline materials is that they may self-organize. This is of particular importance for Soft-matter materials. Self-organization is characterized by the spontaneous creation of regular structures at different length scales which may exhibit a certain hierarchy that controls the properties of the system. X-ray scattering and diffraction have been for more than a hundred years an essential technique to characterize the structure of materials. Quite often scattering anddiffractionphenomenaexhibitedbynon-crystallinematerialshavebeenreferred to as non-crystalline diffraction.