I ?rst heard of k.p in a course on semiconductor physics taught by my thesis adviser William Paul at Harvard in the fall of 1956. He presented the k.p Hamiltonian as a semiempirical theoretical tool which had become rather useful for the interpre- tion of the cyclotron resonance experiments, as reported by Dresselhaus, Kip and Kittel. This perturbation technique had already been succinctly discussed by Sho- ley in a now almost forgotten 1950 Physical Review publication. In 1958 Harvey Brooks, who had returned to Harvard as Dean of the Division of Engineering and Applied Physics in which I was enrolled, gave a lecture on the capabilities of the k.p technique to predict and 't non-parabolicities of band extrema in semiconductors. He had just visited the General Electric Labs in Schenectady and had discussed with Evan Kane the latter's recent work on the non-parabolicity of band extrema in semiconductors, in particular InSb. I was very impressed by Dean Brooks's talk as an application of quantum mechanics to current real world problems. During my thesis work I had performed a number of optical measurements which were asking for theoretical interpretation, among them the dependence of effective masses of semiconductors on temperature and carrier concentration. Although my theoretical ability was rather limited, with the help of Paul and Brooks I was able to realize the capabilities of the k.p method for interpreting my data in a simple way."

In this book, the problem of electron and hole transport is approached from the point of view that a coherent and consistent physical theory can be constructed for transport phenomena. Along the road readers will visit some exciting citadels in theoretical physics as the authors guide them through the strong and weak aspects of the various theoretical constructions. Our goal is to make clear the mutual coherence and to put each theoretical model in an appropriate perspective. The mere fact that so many partial solutions have been proposed to describe transport, be it in condensed matter, fluids, or gases, illustrates that we are entering a world of physics with a rich variety of phenomena. Theoretical physics always seeks to provide a unifying picture. By presenting this tour of many very inventive attempts to build such a picture, it is hoped that the reader will be inspired and encouraged to help find the unifying principle behind the many faces of transport.

A thermodynamically consistent description of the transport across interfaces in mixtures has for a long time been an open issue. This research clarifies that the interface between a liquid and a vapor in a mixture is in local equilibrium during evaporation and condensation. It implies that the thermodynamics developed for interfaces by Gibbs can be applied also away from equilibrium, which is typically the case in reality. A description of phase transitions is of great importance for the understanding of both natural and industrial processes. For example, it is relevant for the understanding of the increase of CO2 concentration in the atmosphere, or improvements of efficiency in distillation columns. This excellent work of luminescent scientific novelty has brought this area a significant step forward. The systematic documentation of the approach will facilitate further applications of the theoretical framework to important problems.

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. 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.

Multiphase catalysis is a key technology for the competitive and sustainable production of fine chemicals in coming decades. A joint academic and industry consortium has developed tools for considering complex chemical and process-based requirements when setting up a catalytic system. This book shows how the resulting competence covers such supercritical fluid (SCF) technology in catalysis, ionic liquids (Il), ligand design for SFCs and Ils, thermomorphic solvent systems, reactor design and more.

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 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 book summarizes recent international research and experimental developments regarding fatigue crack growth investigations of rubber materials. It shows the progress in fundamental as well as advanced research of fracture investigation of rubber material under fatigue loading conditions, especially from the experimental point of view. However, some chapters will describe the progress in numerical modeling and physical description of fracture mechanics and cavitation phenomena in rubbers. Initiation and propagation of cracks in rubber materials are dominant phenomena which determine the lifetime of these soft rubber materials and, as a consequence, the lifetime of the corresponding final rubber parts in various fields of application. Recently, these phenomena became of great scientific interest due to the development of new experimental methods, concepts and models. Furthermore, crack phenomena have an extraordinary impact on rubber wear and abrasion of automotive tires; and understanding of crack initiation and growth in rubbers will help to support the growthing number of activities and worldwide efforts of reduction of tire wear losses and abrasion based emissions.

Hydrogen bonds represent type of molecular interaction that determines the structure and function of a large variety of molecular systems. The elementary dynamics of hydrogen bonds and related proton transfer reactions, both occurring in the ultra fast time domain between 10-14 and 10-11s, form a research topic of high current interest.
In this book addressing scientists and graduate students in physics, chemistry and biology, the ultra fast dynamics of hydrogen bonds and proton transfer in the condensed phase are reviewed by leading scientists, documenting the state of the art in this exciting field from the viewpoint of theory and experiment. The nonequilibrium behavior of hydrogen-bonded liquids and intramolecular hydrogen bonds as well as photo induced hydrogen and proton transfer are covered in 7 chapters, making reference to the most recent literature.

This book provides an overview of the latest developments in the field of nanoparticle catalysis. It not only discusses established topics in detail, but also explores several emerging topics. Catalysis with nanoparticles is expanding exponentially and is attracting significant interest due to the many exciting findings being reported. Mastering the synthesis, characterization, stabilization and use of these catalysts offers numerous possibilities that far exceed those of classic heterogeneous and homogeneous catalysis.

Encyclopedia of Nanomaterials, Three Volume Set provides a comprehensive reference work on the creation, characterization, property and processing of nanomaterials. Sections cover the synthesis, functionalization, assembly and characterization of nanomaterials, their chemical, physical and biological properties, their processing in the form of coating, special texture and surface patterns, nanodevice fabrication, large-scale manufacturing, and their health and environmental impacts. Focusing on the fundamental concepts of nanomaterials and the key processes to understand, manipulate, and process them, this reference gives readers the ability to design and produce nanomaterials according to the requirements of their specific applications. Further, this encyclopedia includes sections that specifically discuss the large-scale manufacture of nanomaterials and the possible environmental and health impacts of their widespread use in many practical settings. It is written for graduate students and researchers in various fields, including biomedicine, pharmaceutical industry, energy, environmental science, catalysis, etc.

This volume explores the latest developments in the area of polymer electrolyte membranes (PEMs) used for high-temperature fuel cells. Featuring contributions from an international array of researchers, it presents a unified viewpoint on the operating principles of fuel cells, various methodologies used for the fabrication of PEMs, and issues related to the chemical and mechanical stabilities of the membranes. Special attention is given to the fabrication of electrospun nanocomposite membranes. The editors have consciously placed an emphasis on developments in the area of fast-growing and promising PEM materials obtained via hygroscopic inorganic fillers, solid proton conductors, heterocyclic solvents, ionic liquids, anhydrous H3PO4 blends, and heteropolyacids. This book is intended for fuel cell researchers and students who are interested in a deeper understanding of the organic-inorganic membranes used in fuel cells, membrane fabrication methodologies, properties and clean energy applications.

This thesis examines various aspects of excess excitation energy dissipation via dynamic changes in molecular structure, vibrational modes and solvation. The computational work is carefully described and the results are compared to experimental data obtained using femtosecond spectroscopy and x-ray scattering. The level of agreement between theory and experiment is impressive and provides both a convincing validation of the method and significant new insights into the chemical dynamics and molecular determinants of the experimental data. Hence, the method presented in the thesis has the potential to become a very important contribution to the rapidly growing field of femtosecond x-ray science, a trend reflected in the several free-electron x-ray lasers (XFELs) currently being built around the world. Light-induced chemical processes are accompanied by molecular motion of electrons and nuclei on the femtosecond time scale. Uncovering these dynamics is central to our understanding of the chemical reaction on a fundamental level. Asmus O. Dohn has implemented a highly efficient QM/MM Direct Dynamics method for predicting the solvation dynamics of transition metal complexes in solution.

The author provides a unified account of the electrochemical material science of metal chalcogenide (MCh) compounds and alloys with regard to their synthesis, processing and applications.

Starting with the chemical fundamentals of the chalcogens and their major compounds, the initial part of the book includes a systematic description of the MCh solids on the basis of the Periodic Table in terms of their structures and key properties. This is followed by a general discussion on the electrochemistry of chalcogen species, and the principles underlying the electrochemical formation of inorganic compounds/alloys. The core of the book offers an insight into available experimental results and inferences regarding the electrochemical preparation and microstructural control of conventional and novel MCh structures. It also aims to survey their photoelectrochemistry, both from a material-oriented point of view and as connected to specific processes such as photocatalysis and solar energy conversion.

Finally, the book illustrates the relevance of MCh materials to various applications of electrochemical interest such as (electro)catalysis in fuel cells, energy storage with intercalation electrodes, and ion sensing.

In 2001 Wyn Roberts celebrated both his 70th birthday and 50 years of working in surface science, to use the term "surface science" in its broadest meaning. This book aims to mark the anniversary with a contribution of lasting value, something more than the usual festschrift issue of a relevant journal. The book is divided into three sections: Surface Science, Model Catalysts and Catalysis, topics in which Wyn has always had interests. The authors for each chapter were chosen from some of the many eminent scientists who have worked with Wyn in various ways and are all internationally acknowledged as leaders in their field. The authors have produced authoritative reviews of their own specialties which together result in a book with an unrivalled combination of breadth and depth exploring the most recent developments in surface chemistry and catalysis.

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.

Over the past 20 years aqueous organometallic catalysis has found applications in small- scale organic synthesis in the laboratory, as well as in the industrial production of chemicals with a combined output close to one million tons per year. Aqueous/organic two-phase reactions allow easy product-catalyst separation and full catalyst recovery which mean clear benefits not only in economic but also in environmental and green chemistry contexts. Instead of putting together a series of expert reviews of specialized fields, this book attempts to give a comprehensive yet comprehensible description of the various catalytic transformations in aqueous systems as seen by an author who has been working on aqueous organometallic catalysis since its origin. Emphasis is put on the discussion of differences between related non-aqueous and aqueous processes due to the presence of water. The book will be of interest to experts and students working in catalysis, inorganic chemistry or organic synthesis, and may serve as a basis for advanced courses.

Provides historical perspective as well as current data

Abundantly illustrated with figures redrawn from literature data

Covers all pertinent theory and physical chemistry

Catalytic and chemotherapeutic applications are included

This book introduces readers to the use of formic acid for efficient organic synthesis. It describes the N-methylation of aromatic and aliphatic amines with formic acid using a boron-based catalyst [B(C6F5)3] in combination with silanes and without the need for an expensive transition metal catalyst. It also shows that formic acid interacts with alkynes and allyl alcohols through a carbonylation process that generates carbon monoxide in situ from nickel and palladium catalysis, respectively, doing away with the need to use high-pressure CO gas and offering a user-friendly and practical method for preparing functionalized , - and , -unsaturated carboxylic acids. The findings presented not only enrich the field of 'C1 chemistry,' but also support the advancement of green and sustainable chemistry.

"N-Heterocyclic Carbenes in Transition Metal Catalysis and Organocatalysis" features all catalytic reactions enabled by N-heterocyclic carbenes (NHCs), either directly as organocatalysts or as ligands for transition metal catalysts. An explosion in the use of NHCs has been reported in the literature during the past seven years making this comprehensive overview highly apropos.

The book begins with an introductory overview of NHCs which could have been subtitled "all you need to know about NHCs." The main body of the book is dedicated to applications of NHCs in catalysis. In addition to the success stories of NHCs in metathesis, NHCs in cross coupling and more recently NHCs in organocatalysis, all other less publicized areas are also covered. As the success of NHCs is generally attributed to their potential to stabilize metal centres, the inclusion of a chapter on the decomposition of NHC catalysts is pertinent. The book closes with a chapter describing the applications of NHCs in industrial processes, which is the first coverage of its kind, and brings a unique industrial context to this book.

Included in this book: Historical aspects of NHCsSynthetic pathways to NHC precursors, free NHCs and complexesMethods of characterisation of NHCs and related complexesElectronic properties of NHCsSteric properties of NHCs and models for their descriptionNHCs for metathesis and cross-coupling reactionsNHCs as organocatalystsNHC Transition-Metal mediated oxidations, additions to multiple bonds, polymerisation and oligomerisation, cyclisations, direct arylations, reactions involving CO, C-F and C-H bond activation, ...Decomposition of NHC-containing catalystsIndustrial applications involving NHC-containing catalysts

"N-Heterocyclic Carbenes in Transition Metal Catalysis and Organocatalysis" provides a fresh view of NHCs since most contributors are young emerging researchers in the field of homogeneous catalysis using NHCs. This group of contributors is complemented by highly established academic researchers and an industrialist. This book is comprehensive, from the basic features of NHCs to the latest advances, hence it is suitable for both the novice and the expert.

In this book, the author determines that a surface is itself a new material for chemical reaction, and the reaction of the surface provides additional new materials on that surface. The revelation of that peculiarity is what makes this book different from an ordinary textbook, and this new point of view will help to provide a new impetus when graduate students and researchers consider their results. The reaction of surface atoms provides additional new compounds, but these compounds cannot be detached from the surface. Some compounds are passive, but others work as catalysts. One superior feature of the surface is the dynamic cooperation of two or more different functional materials or sites on the same surface. This fact has been well established in the preferential oxidation of CO on platinum supported on a carbon nanotube with Ni-MgO at its terminal end. The Pt and Ni-MgO are perfectly separated, but these two are indispensable for the selective oxidation of CO in H2, where the H2O molecule plays a key role. The reader will understand that the complexity of catalysis is due to the complexity of the dynamic processes on the surface.

The aim of this book is to survey a number of chemical compounds that chemists, both theoretical and experimental, find fascinating. Some of these compounds, like planar carbon species or oxirene, offer no obvious practical applications; nitrogen oligomers and polymers, in contrast, have been touted as possible high-energy-density materials. What unites this otherwise eclectic collection is that these substances are unknown and offer a challenge to theory and to synthesis. It is envisioned that this collection of idiosynchractic molecules will appeal to chemists who find the study of chemical oddities interesting and, on occasion, even rewarding.

For fifty years, Hydrosilylation has been one of the most fundamental and elegant methods for the laboratory and industrial synthesis of organosilicon and silicon related compounds. Despite the intensive research and continued interest generated by organosilicon compounds, no comprehensive book incorporating its various aspects has been published this century. The aim of this book is to comprehensively review the advances of hydrosilylation processes since 1990. The survey of the literature published over the last two decades enables the authors to discuss the most recent aspects of hydrosilylation advances (catalytic and synthetic) and to elucidate the reaction mechanism for the given catalyst used and the reaction utilization. New catalytic pathways under optimum conditions necessary for efficient synthesis of organosilicon compounds are presented. This monograph shows the extensive development in the application of hydrosilylation in organic and asymmetric syntheses and in polymer and material science.

This book contains important contributions from top international scientists on the-state-of-the-art of femtochemistry and femtobiology at the beginning of the new millennium. It consists of reviews and papers on ultrafast dynamics in molecular science.The coverage of topics highlights several important features of molecular science from the viewpoint of structure (space domain) and dynamics (time domain). First of all, the book presents the latest developments, such as experimental techniques for understanding ultrafast processes in gas, condensed and complex systems, including biological molecules, surfaces and nanostructures. At the same time it stresses the different ways to control the rates and pathways of reactive events in chemistry and biology. Particular emphasis is given to biological processes as an area where femtodynamics is becoming very useful for resolving the structural dynamics from techniques such as electron diffraction, and X-ray and IR spectroscopy. Finally, the latest developments in quantum control (in both theory and experiment) and the experimental pulse-shaping techniques are described.