The book presents current research progress on hydrogen storage alloys, with a special focus on their applications in batteries. Background, formation mechanisms, electrochemical characteristics, and effects of elemental substitution are covered. Provides an up-to-date overview of the theme for experienced researchers, while including enough fundamentals to serve as a handy, practical introduction for newcomers to the field.

In previous volumes in this series, "Advances in Metal and Semiconductor Clusters," the focus has been on atomic clusters of metals, semiconductors and carbon. Fundamental gas phase studies have been surveyed, and most recently scientists have explored new materials which can be produced from clusters or cluster precursors. In this latest volume, the focus shifts to clusters composed primarily of non-metal molecules or atoms which have one or more metal atoms seeded into the cluster as an impurity. These clusters provide model systems for metal ion solvation processes and metal-ligand interactions.
Metal-ligand bonding underlies the vast fields of organometallic chemistry, transition metal chemistry and homogeneous catalysis. Catalytic activity, ligand displacement reactions and photochemical activity depend on the specific details of metal-ligand bonding. Likewise, metal ions are ubiquitous in chemistry and biology and weaker electrostatic interactions play a leading role in their function. In solution, metals exist in different charge states depending on the conditions, and the solvation environment strongly influences their chemistry. Many enzymes have metal ions at their active sites, and electrostatic interactions influence the selectivity for metal ion transport through cell membranes. Metal ions (e.g., Mg+, Ca+) are deposited into the earth's atmosphere by meteor ablation, resulting in a rich variety of atmospheric chemistry. Similarly, metal ions ( Mg+) have been observed in planetary atmospheres and in the impact of the comet Shoemaker-Levy 9 on Jupiter. In various circumstances, the electrostatic interactions of metal ions determine the outcome of significant chemistry. Cluster chemistry has made significant contributions to the understanding of these stronger metal ligand interactions and weaker metal ion solvation interactions. In this volume, the authors explore a variety of work in these general areas, where new cluster science techniques in the gas phase have made it possible to synthesize new kinds of complexes with metals and to measure their properties in detail.

An outstanding international scientific event in the field of metathesis chemistry, the NATO ASI "Green Metathesis Chemistry: Great Challenges in Synthesis, Catalysis and Nanotechnology" has been recently organized in Bucharest, Romania (July 21- August 2, 2008). Numerous renowned scientists, young researchers and students, convened for two weeks to present and debate on the newest trends in alkene metathesis and identify future perspectives in this fascinating area of organic, organometallic, catalysis and polymer chemistry with foreseen important applications in materials science and technology. Following the fruitful practice of NATO Advanced Study Institutes, selected contributions covering plenary lectures, short communications and posters have been compiled in this special volume dedicated to this successful convention on green metathesis chemistry.

General interest was primarily focused on relevant "green chemistry" features related to all types of metathesis reactions (RCM, CM, enyne metathesis, ADMET and ROMP). Diverse opportunities for green and sustainable technologies and industrial procedures based on metahesis have been identified. Largely exemplified was the utility of this broadly applicable strategy in organic synthesis, for accessing natural products and pharmaceuticals, and also its ability to fit in the manufacture of smart and nanostructured materials, self-assemblies with nanoscale morphologies, macromolecular engineering.

This book should be of interest to introductory and general text for students in chemistry, physical chemistry and physical sciences.

In this dissertation, Marie-Helene Larraufie develops original radical and pallado-catalyzed methodologies to enable the synthesis of several classes of bioactive nitrogen-containing heterocycles. New radical cascades employing the N-acylcyanamide moiety offer straightforward routes to quinazolinones and guanidines, as well as new insights into the mechanism of homolytic aromatic substitutions. In parallel, Larraufie expands the scope of visible light photoredox catalysis to the ring opening of epoxides and aziridines, thus providing new sustainable alternatives for the generation of radicals. Furthermore, in a collaborative effort with the Catellani group, the author investigates dual palladium/norbornene catalysis. First, she develops a C-amination coupling variant of the Catellani reaction with unprotected amines which provides an expeditious route to phenanthridines. Then, she examines the influence of the chelating effect on Pd(IV) intermediates reactivity with the help of experimental studies and DFT calculations. The work in this thesis has resulted in numerous publications in high impact journals.The clarity and depth of the experimental section will be useful for students and researchers working in this field.

Molecular structure is the most basic information about a substance, determining most of its properties. Determination of accurate structures is hampered in that every method applies its own definition of "structure" and thus results from different sources can yield significantly different results. Sophisticated protocols exist to account for these differences, but until now, no textbook has been written to discuss such topics in a widely accessible manner. Balancing quantum theory with practical experiments, Equilibrium Molecular Structures focuses on the theory involved in determining and converting measured and computed data sets into accurate and well-defined equilibrium structures. This textbook begins with a discussion of quantum chemistry and the concept of potential energy surfaces, quantum chemical computation of structures and anharmonic force fields. The reader is next introduced to the method of least squares and the problem of ill-conditioning, leverage points, perturbation theory, computational aspects of determining semi-experimental equilibrium structures, the determination of moments of inertia from spectra, and the treatment of resonances. The textbook also examines the determination of diatomic molecular potentials using semiclassical and quantum mechanical methods as well as position and distance averages. From basic elements to the latest advances and current best practices, Equilibrium Molecular Structures contains abundant references, examples, and exercises. Additional examples are also available as downloadable support material on the publishers website. These features make the book ideal for class instruction but also user-friendly for self-instruction. It is recommended for newcomers to the field and also for experienced spectroscopists who want to expand their area of knowledge.

I used the opportunity of this edition to correct some minor mistakes and clarify, wherever it possible, exposition of the theory in comparison with the previous edition of this book (Kluwer, Dordrechtet cet, 2000). It provokes - largement of the book, though I tried to present the modern theory of thermic motion of long macromolecules in compact form. I have tried to accumulate the common heritage and to take into account di?erent approaches in the theory of dynamics of linear polymers, at least, to understand and make clear the importance of various ideas for explanation of relaxation phenomena in linear polymers, to present recent development in the ?eld. The theory of non-equilibrium phenomena in polymer systems is based on the fundamental principles of statistical physics. However, the peculiarities of thestructureandthebehaviourofthesystemsnecessitatetheimplementation of special methods and heuristic models that are di?erent from those for gases and solids, so that polymer dynamics has appeared to be a special branch of physicsnow. Themonographcontainsdiscussionsofthemainprinciplesofthe theoryof slowrelaxationphenomena in linearpolymers, elaborated inthe last decades. The basic model of a macromolecule, which allows us a consistent explanation of di?erent relaxation phenomena (di?usion, neutron scattering, viscoelasticity, optical birefringence), remains to be a coarse-grained or be- spring model, considered in di?erent environments: viscous, to describe the behaviourofdilutesolutions, orviscoelastic, todescribethebehaviourofboth weakly and strongly entangled system

This book is the result of a NATO Advanced Research Workshop held in Vimeiro, Portugal, in May 1992. The objectives of this Workshop were: i) to promote exchange of knowledge between experts in various fields of discharge modeling, plasma diagnostics and microwave plasma applications; ii) to assess the state-of-the-art in this field from a multidisciplinary viewpoint; iii) to identify basic points needing clarification and to estab- lish basic guidelines for future research; iv) to compare the properties of microwave dis- charges to those of RF discharges, as plasma sources for specific applications. Most of the contributors to this book are well known scientists in the field of mi- crowave discharge sources, modeling, diagnostics and applications. The book provides an up-to-date review in this field which should be useful for both the fundamentalists and those using these systems in applications such as surface treatment and elemental analysis. We are gmteful to a number of organizations for providing the fmancial assistance that made the Workshop possible. Foremost is the NATO Scientific Affairs Division, which provided the major contribution for the Workshop. In addition, the following Por- tuguese sources made contributions: Instituto Nacional de Investiga~iio Cientifica, Junta Nacional de Investiga~iio Cientifica e Tecnologica, Centro de Electrodinamica da Univer- sidade Tecnica de Lisboa, Instituto Superior Tecnico, Banco Nacional Ultmmarino, and Regiiio de Turismo do Oeste.

The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. 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 are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field. Review articles for the individual volumes are invited by the volume editors. Readership: research chemists at universities or in industry, graduate students.

This is the second of two volumes offering the very first comprehensive treatise of self-organization and non-linear dynamics in electrochemical systems. The first volume covers general principles of self-organization as well as temporal instabilities. The content of both volumes is organized so that each description of a particular electrochemical system is preceded by an introduction to basic concepts of nonlinear dynamics, in order to help the reader unfamiliar with this discipline to understand at least fundamental concepts and the methods of stability analysis. The presentation of the systems is not limited to laboratory models but stretches out to real-life objects and processes, including systems of biological importance, such as neurons in living matter. Marek Orlik presents a comprehensive and consistent survey of the field.

In the past, the analysis of materials containing several elements presented unique problems for analytical chemists, so a sequence of wet chemical qualitative tests were performed to ensure each element in a sample was detected. Quantitative tests could then be performed with confidence. Modern analytical chemists can call on a range of specialist instrumental techniques which can detect the presence of all elements, often all at once, and often quantitatively. The drawback is that the instruments tend to be expensive, suited to particular sample types or matrices and complex in both setting up and in the interpretation of results. Furthermore the general analytical chemist may have access and familiarity with only one or two methods. The purpose of this book is to familiarize analytical chemists with all the multi-element analysis techniques, to enable them to specify the most appropriate test for any given sample. This book should be of interest to professional analytical chemists, geochemists, biologists and environmental scientists.

Special numerical techniques are already needed to deal with nxn matrices for large n.Tensor data are of size nxnx...xn=n DEGREESd, where n DEGREESd exceeds the computer memory by far. They appear for problems of high spatial dimensions. Since standard methods fail, a particular tensor calculus is needed to treat such problems. The monograph describes the methods how tensors can be practically treated and how numerical operations can be performed. Applications are problems from quantum chemistry, approximation of multivariate functions, solution of pde, e.g., with stochastic coefficie

The third and last volume of this treatise IS concerned with important applications of the quantum~theory of chemical reactions to chemisorption, catalysis and biochemical reactions. The book begins with an important paper devoted to the theoretical background of heterogeneous catalysis. It is followed by two papers showing typical applications of wave mechanics to the analysis of chemisorption. Catalysed gas-solid reactions are chosen to illustrate gas, organic solid state reaction and some aspects of the mechanism of the FISCHER-TROPSCH synthesis are presented. The second part of the book is devoted to biochemical applications of quantum chemistry. Two papers are concerned with the quantum theory of enzyme activity. Two others present recent progress of quantum pharmacology. Finally an important contribution to the theory of intermolecular forces is made in the view of possible applications to biochemical problems. vii R. Daudel, A. Pullman, L. Salem, and A. Viellard reds.), Quantum Theory o/Chemical Reactions, Volume III, vii. Copyright (c) 1982 by D. Reidel Publishing Company. THEORETICAL BACKGROUND OF HETEROGENEOUS CATALYSIS J.E.Germain Laboratoire de Catalyse Appliquee et Cinetique Heterogene L. A. 231 du Centre National de la Recherche Scientifique Universite Claude Bernard Lyon I, E.S.C.I.L. 43 Boulevard du 11 Novembre 1918, 69622 Villeurbanne Cedex. Heterogeneous Catalysis is a surface Kinetic phenomenon by which a chemical reaction between molecules of a fluid phase is accelerated (activity) and oriented (selectivity) by contact with a solid phase (catalysts, without change of the solid.

In the framework of the rapid development of nanoscience and nanotechnology, the domain of nanostructured materials is attracting more and more researchers, both academic and industrial. Synthesis methods are a major prerequisite for achievement in this rapidly evolving field. Nanostructured Materials: Selected Synthesis Methods, Properties and Applications presents several important recent advances in synthesis methods for nanostructured materials and processing of nano-objects into macroscopic samples, such as nanocrystalline ceramics. This book will not cover the whole spectrum of possible synthesis techniques, which would be limitless, but it presents especially interesting highlights in the domains of research of the editors.

Subjects that are covered include the following:
*"chimie douce" approaches for preparation of a large variety of nanostructured materials, including metals, alloys, semiconductors and oxides;
*hydrothermal synthesis with water as solvent and reaction medium can be specifically adapted to nanostructured materials;
*"electrospraying" as a powerful new route for the preparation of nanoparticles, especially of oxides for electroceramics;
*nanoparticles processed into nanostructured ceramics, by using dynamic compaction techniques;
*applications of nanostructured materials.

This book complements the previous volume in this series (P. Knauth, J. Schoonman, eds., Nanocrystalline Metals and Oxides: Selected Properties and Applications, Kluwer, Boston, 2002).

Proceedings of the NATO Advanced Study Institute on New Trends and Applications of Photoelectrochemistry and Photocatalysis for Environment Problems, Cafelu, Palermo, Italy, September 6-18, 1987"

Take any combination of the following features: supramolecular structures with a specific fluorescent probe localized as you would like; nanoscale spatial reso- tion; tailor-made molecular and/or solid-state fluorescing nanostructures; us- friendly and/or high- throughput fluorescence techniques; the ability to do wh- ever you wish with just one single (supra)molecule; utilization of non-linear optical processes; and,last but not least,physical understanding of the processes resu- ing in a (biological) functionality at the single molecule level. What you will then have is some recent progress in physics,chemistry,and the life sciences leading to the development of a new tool for research and application. This was amply demonstrated at the 8th Conference on Methods and Applications of Fluorescence: Probes,Imaging,and Spectroscopy held in Prague,the Czech Republic on August 24th-28th, 2003. This formed a crossroad of ideas from a variety of natural science and technical research fields and biomedical applications in particular. This volume - the third book in the Springer-Verlag Series on Fluorescence - reviews some of the most characteristic topics of the multidisciplinary area of fluorescence applications in life sciences either presendted directly at th 8th MAF Conference or considered to be a cruical development in the field. In the initial contribution in Part 1 - Basics and Advanced Approaches,the - itors explain the basics of fluorescence and illustrate the relationship between some modern fluorescence techniques and classical approaches. The second contrigution by B.

The study of the interaction of molecules with surfaces and interfaces is of great importance for the understanding of adsorption and catalysis on solid surfaces, the complex properties of molecules on fluid interfaces and the relationship between structure and functionality in macromolecular biological systens. It is the aim of this volume to present and analyse in a comprehensive and accesible way the methodical achievements and the recent proress in this field. The broadness of both scope and selection of the topics should help in particular non-expert readers to become familiar with this exciting field of research.

This title provides an introduction to molecular-microsimulation methods for colloidal dispersions and is suitable for both self-study and reference. It provides the reader with a systematic understanding of the theoretical background to simulation methods, together with a wide range of practical skills for developing computational programs. Exercises are included at the end of each chapter to further assist the understanding of the subjects addressed.
- Provides the reader with the theoretical background to molecular-microsimulation methods
- Suitable for both self-study and reference
- Aids the reader in developing programs to meet their own requirements

This book presents a number of studies on the molecular dynamics of cement-based materials. It introduces a practical molecular model of cement-hydrate, delineates the relationship between molecular structure and nanoscale properties, reveals the transport mechanism of cement-hydrate, and provides useful methods for material design. Based on the molecular model presented here, the book subsequently sheds light on nanotechnology applications in the design of construction and building materials. As such, it offers a valuable asset for researchers, scientists, and engineers in the field of construction and building materials.

Kyle A. Grice, Margaret L. Scheuermann and Karen I. Goldberg: Five-Coordinate Platinum(IV) Complexes.- Jay A. Labinger and John E. Bercaw: The Role of Higher Oxidation State Species in Platinum-Mediated C-H Bond Activation and Functionalization.- Joy M. Racowski and Melanie S. Sanford: Carbon-Heteroatom Bond-Forming Reductive Elimination from Palladium(IV) Complexes.- Helena C. Malinakova: Palladium(IV) Complexes as Intermediates in Catalytic and Stoichiometric Cascade Sequences Providing Complex Carbocycles and Heterocycles.- Allan J. Canty and Manab Sharma: h1-Alkynyl Chemistry for the Higher Oxidation States of Palladium and Platinum.- David C. Powers and Tobias Ritter: Palladium(III) in Synthesis and Catalysis.- Marc-Etienne Moret: Organometallic Platinum(II) and Palladium(II) Complexes as Donor Ligands for Lewis-Acidic d10 and s2 Centers.

The PUILS series delivers up-to-date reviews of progress in Ultrafast Intense Laser Science, a newly emerging interdisciplinary research field spanning atomic and molecular physics, molecular science and optical science which has been stimulated by the recent developments in ultrafast laser technologies. Each volume compiles peer-reviewed articles authored by researchers at the forefront of each their own subfields of UILS. Every chapter opens with an overview of the topics to be discussed, so that researchers unfamiliar to the subfield as well as graduate students can grasp the importance and attractions of the research topic at hand. These are followed by reports of cutting-edge discoveries. This eighth volume covers a broad range of topics from this interdisciplinary research field, focusing on molecules interacting with ultrashort and intense laser fields, advanced technologies for the characterization of ultrashort laser pulses and their applications, laser plasma formation and laser acceleration.

This series, Finite Systems and Multipartide Dynamics, is intended to provide timely reviews of current research topics, written in a style sufficient ly pedagogic so as to allow a nonexpert to grasp the underlying ideas as well as understand technical details. The series is an outgrowth of our involvement with three interdisciplin ary activities, namely, those arising from the American Physical Society's Topical Group on Few-Body Systems and Multipartide Dynamics, the series of Gordon Research Conferences first known by the title "Few-Body Problems in Chemistry and Physics" and later renamed "Dynamics of Simple Systems in Chemistry and Physics," and the series of Sanibel Symposia, sponsored in part by the University of Florida. The vitality of these activities and the enthusiastic response to them by researchers in various subfields of physics and chemistry have convinced us that there is a place-even a need-for a series of timely reviews on topics of interest not only to a narrow band of experts but also to a broader, interdisciplinary readership. lt is our hope that the emphasis on pedagogy will permit at least some of the books in the series to be useful in graduate-level courses. Rather than use the adjective "Few-Body" or "Simple" to modify the word "Systems" in the title, we have chosen "Finite. " It better expresses the wide range of systems with which the reviews of the series may deal."

Scientific research involving neutrons or synchrotron radiation is performed in large experimental installations at a few sites around the world. Taking full advantage of such techniques requires a wide range of specialized expertise not found in any university course. Therefore, there is a need for reference books and training courses to introduce young scientists to the underlying principles and methods.

Neutron and X-Ray Spectroscopy delivers an up-to-date account of the principles and practice of inelastic and spectroscopic methods available at neutron and synchrotron sources, including recent developments. The chapters are based on a course of lectures and practicals (the HERCULES course at the European Synchrotron Radiation Facility) delivered to young scientists who require these methods in their professional careers. Each chapter, written by a leading specialist in the field, introduces the basic concepts of the technique and provides an overview of recent work. This volume, which focuses on spectroscopic techniques in synchrotron radiation and inelastic neutron scattering, will be a primary source of information for physicists, chemists and materials scientists who wish to acquire a basic understanding of these techniques and to discover the possibilities offered by them. Emphasizing the complementarity of the neutron and X-ray methods, this tutorial will also be invaluable to scientists already working in neighboring fields who seek to extend their knowledge.

During the past decade supercritical fluid extration (SFE) has attracted considerable attention as a sample preparation procedure in analytical chemistry. The successful implementation of this technique can lead to improved sample throughput, more efficient recovery of analytes, cleaner extracts, economic replacement of halogenated solvents and a high level of automation, compared to conventional sample preparation procedures. This book provides an overview of basic principles of SFE as well as in-depth reviews of both on- and off-line SFE methods. The on-line coupling of SFE with both chromatographic and spectroscopics techniques has been the subject of a great deal of research effort and is dealt with in detail. Newer developments, such as off-line SFE of solid and liquid matrices, are starting to attract a great deal of interest, and the coverage of these areas will prove of particular value to the analytical chemist. The international team of authors has illustrated these topics with many state-of-the-art' applications, and each chapter provides a comprehensive list of references. For the convenience of the reader, an appendix which contains pressure conversion scales and supercritical fluid carbon dioxide density tables appears at the end of the book. The volume's extensive coverage of both on-line and off-line extraction will be particularly useful to analytical chemists, in a wide range of environments, seeking to develop high quality, simple and robust SFE methods.

The technique of smal1-angle soattering (SAS) is now about sixty years o1d. Soon after the first observations of, a continuous, intense X-ray scattering near the primary beam from samp1es such as canbo:tt,bla:cks, it was recognized that this scattering arose from e1ectron density heterogeneities on a scale of severa! tens to severa! hundred times the wave1ength of the radiation used. By the time the classic monograph of Guinier and Foumet appeared in 1955, much of the basic theory and instrumentation had been developed, and applications to colloidal suspensions, macromolecular solutions inc1uding proteins and viruses, fibers, porous and finely divided solids, metallic alloys etc. numbered in the hundreds. Following severa! specialized meetings, the first international conference on small-ang1e X-ray scattering was helditi, Syracuse in 1965, marked by the presentation of new scattering theory for polydisperse systems, polymer coils and filaments, new instrumentation (the Bonse-Hart camera), and new applications to polymeric, biologica!, and metallic systems, to critica! phenomena and to catalysts. The second conference (Graz, 1970) no longer dealt exclusively with X- ray scattering, but also inc1uded neutron small-angle scattering (SANS). SANS applications developed rapidly during this period, especially for studying synthetic and biologica! macromolecules, when the possibilities of exploiting scattering Iength density differences, created by selective deuteration, were recognized.