This book presents theoretical studies of electronic structure, optical and spectroscopic properties of a number of compounds such as porphyrins, fullerenes and heteroatomic single-wall nanotubes. The book presents new, faster calculation methods for application in quantum-chemical theory of electronic structures. It addresses issues of practical importance such as the development of materials for photosensitizers, organic LEDs and solar cells.

Structure of Crystals describes the ideal and real atomic structure of crystals as well as the electronic structures. The fundamentals of chemical bonding between atoms are given, and the geometric representations in the theory of crystal structure and crystal chemistry, as well as the lattice energy, are considered. The important classes of crystal structures in inorganic compounds as well as the structures of polymers, liquid crystals, biological crystals, and macromolecules are treated. This edition is complemented with recent data on many types of crystal structures - e.g., the structure of fullerenes, high-temperature superconductors, minerals, and liquid crystals.

Aerosols play a critical role in a broad range of scientific disciplines, such as atmospheric chemistry and physics, combustion science, drug delivery and human health. This thesis explores the fundamentals of a new technique for capturing single or multiple particles using light, and for characterising these particles by Raman or fluorescence spectroscopy. The outcome of this research represents a significant development in optical manipulation techniques, specifically in optical tweezing. These findings can be applied to studies of the mass accommodation of gas-phase water molecules adsorbing onto a water surface. Not only is this a fundamental process of interest to physical chemists, but it is important for understanding the role of aerosol particles in the atmosphere, including their ability to become cloud droplets. This new strategy for investigating aerosol dynamics is fundamental in helping us understand the indirect effect of aerosols on the climate.

The book introduces the outcomes of latest research in the field of Chemical Engineering. The book also illustrates the application of Chemical Engineering principles to provide innovative and state of the art solutions to problems associated with chemical industries. It covers a wide spectrum of topics in the area of Chemical Engineering such as Transfer operations, novel separation processes, adsorption, photooxidation, process control, modelling, and simulation. The book provides timely contribution towards implementation of recent approaches and methods in Chemical Engineering Research. It presents chapters focussed on several Chemical Engineering principles and methodologies of wide multidisciplinary applicability. The intended audience of this book will mainly consist of researchers, research students, and practitioners in Chemical Engineering and allied fields. The book can also serve researchers and students involved in multidisciplinary research.

Systematic investigations of the structure, mechanics, and dynamics of biological surfaces help us understand more about biological processes taking place at cell and bacteria surfaces. Presented here is a study of the role membrane-bound saccharides play in the modulation of interactions between cells/bacteria and their environments. In this thesis, membrane structures were probed perpendicular and parallel to the surface, and sophisticated planar models of biomembranes composed of glycolipids of various structural complexities were designed. Furthermore, specular and off-specular X-ray and neutron scattering experiments were carried out. This research has led to the development of several new methods for extracting information on the structure and mechanics of saccharide-rendered biomembranes from the measured scattering signals. In fact, more is now known about the influence of the saccharide structure. These results demonstrate that the study of planar model systems with X-ray and neutron scattering techniques can provide comprehensive insight into the structure and mechanics of complex biological surfaces.

This book completes the physical foundations and experimental techniques described in volume 1 with an updated review of the accessory equipment indispensable in molecular beam experiments. It extends the subject to cluster beams and beams of hyperthermal and subthermal energies. As in volume 1, a special effort is made to outline the physical foundations of the various experimental techniques. Hence this book is intended not only as a reference standard for researchers in the field, but also to bring the flavor of current molecular beam research to advanced undergraduates and graduate students and to enable them to gain a solid background in the field and its technique.

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 papersin this volume are as a resultofcontributions given at the NATO Advanced Study Institute heldat L1andinam Building, University CollegeofWales, Aberystwyth, 10 - 23 September 1989. The Institute considered the physical and chemical propertiesof a variety ofcolloidal systems ranging from simple micellar solutions to concentrated colloidal dispersions. The purpose ofthe NATO Advanced Study Institute was to create a forum so that research scientists working in different areas concerned with colloid science could interact. The emphasL oft1"l.;: contributions were on the interpretation ofthe different experimental and theoretical approach to give information on the structure, dynamics and equilibrium propertiesofthese systems. The application ofseveral different techniques in colloid science have been described; new developments and perspectives have been covered by several authors. The present volume reviews the current stale ofthe art in this area and it is hoped that it will be used as an incentive for further studies particularlywith reference to new areas ofresearch. In the organisation ofthe scientific programme for the NATO meeting we would like to acknowledge the assistance ofProfessors J. Lyklema, D. G. Hall and J. Holzwarth. We wish to thank Miss Mandy Rudd for all the secretarial assistance in setting up the meeting and for the invaluable assistance in preparing the manuscripts. In connection with the proceedings we would also like to thank Miss Sandra Fahy for assistance. The help of Paul Jones and Mrs G. Wyn-Jones during the meeting is also gratefully acknowledged.

This book is about the interaction of laser radiation with various surfaces at variable parameters of radiation. As a basic principle of classification we chose the energetic or intensity level of interaction of laser radiation with the surfaces. These two characteristics of laser radiation are the most important parameters defining entire spectrum of the processes occurring on the surfaces during interaction with electromagnetic waves. This is a first book containing a whole spectrum of the laser-surface interactions distinguished by the ranges of used laser intensity. It combines the surface response starting from extremely weak laser intensities (~1 W cm-2) up to the relativistic intensities (~1020 W cm-2 and higher). The book provides the basic information about lasers and acquaints the reader with both common applications of laser-surface interactions (laser-related printers, scanners, barcode readers, discs, material processing, military, holography, medicine, etc) and unusual uses of the processes on the surfaces under the action of lasers (art conservation, rangefinders and velocimeters, space and earth explorations, surface engineering and ablation, and others). The scientific applications of laser-surfaces interactions (surface optical nonlinearities, surface enhanced Raman spectroscopy, surface nanostructuring, nanoripples and clusters formation, X-ray lasers and harmonic generation from the surfaces) are discussed from the point of view of the close relations between the properties of surface and matter, which is a cornerstone of most of studies of materials. The novelty of the approach developed in Laser - Surface Interactions is related with the interconnection of scientific studies with numerous applications of the laser-surface interactions separated in different chapters by the ranges of laser intensities. We present most recent achievements in this field. The book provides valuable information for different ranges of reader's preparedness to the laser-related topics (from unprepared readers, to students, engineers and researchers, professionals and academics).

Organized nanoassemblies of inorganic nanoparticles and organic molecules are building blocks of nanodevices, whether they are designed to perform molecular level computing, sense the environment or improve the catalytic properties of a material. The key to creation of these hybrid nanostructures lies in understanding the chemistry at a fundamental level. This book serves as a reference book for researchers by providing fundamental understanding of many nanoscopic materials.

The study of electrochemical nanotechnology has emerged as researchers apply electrochemistry to nanoscience and nanotechnology. These two related volumes in the Modern Aspects of Electrochemistry Series review recent developments and breakthroughs in the specific application of electrochemistry and nanotechnology to biology and medicine. Internationally renowned experts contribute chapters that address both fundamental and practical aspects of several key emerging technologies in biomedicine, such as the processing of new biomaterials, biofunctionalization of surfaces, characterization of biomaterials, discovery of novel phenomena and biological processes occurring at the molecular level.

This book presents an in-depth study into the utility of -bond metathesis in Group 2 mediated reactivity. A comprehensive introduction defines the state of the art in both Group 2 mediated catalysis and dehydrocoupling. Structural investigations giving rise to a range of mixed s-block metal hydrides including a remarkable dodecabimetallic decahydride are then described. Subsequent extensive mechanistic work focussing on both silicon-nitrogen and boron-nitrogen dehydrocoupling gives insights into both congeneric effects down Group 2 and ligand effects centring upon magnesium. These studies show the striking effects of these factors, as well as the electronic nature of the hydridic coupling partner. Finally, the unprecedented introduction of single-electron transfer steps into Group 2 catalytic manifolds is described. The use of the stable radical TEMPO to induce single-electron transfer to substituents bound to Group 2 centres coupled with -bond metathesis allows a novel hydrogen release from silanes.

The current volume in the series "Vibrational Spectra and Structure" is a single topic volume on the vibrational spectra of molecules containing silicon in the solid state. "Molecular Approaches to Solids" has been treated by the workers in the Institute for Silicate Chemistry of the Russian Academy of Science in St. Petersburg for the past two decades. In the last 15 years, a number of publications have originated from the laboratory where quantum mechanical computations for suitably selected molecules have been utilized to explain the origins of some structure bonding interrelationships and silicates and to evaluate their force constants.

Since most of the developments in this area have been published in the Russian literature they remain relatively inaccessible to the Western scientists. This volume is a compilation of many of these publications and summarizes the essential conclusions of these studies.

Unfortunately, Professor Lazarev passed away after he had submitted the volume for publication.

"Iron Phosphate Materials as Cathodes for Lithium Batteries" describes the synthesis and the chemical-physical characteristics of iron phosphates, and presents methods of making LiFePO4 a suitable cathode material for lithium-ion batteries.

The author studies carbon's ability to increase conductivity and to decrease material grain size, as well as investigating the electrochemical behaviour of the materials obtained. "Iron Phosphate Materials as Cathodes for Lithium Batteries" also proposes a model to explain lithium insertion/extraction in LiFePO4 and to predict voltage profiles at various discharge rates.

"Iron Phosphate Materials as Cathodes for Lithium Batteries" is written for postgraduate students and researchers in electrochemistry, R&D professionals and experts in electrochemical storage.

Specialist Periodical Reports provide systematic and detailed review coverage of progress in the major areas of chemical research. Written by experts in their specialist fields the series creates a unique service for the active research chemist, supplying regular critical in-depth accounts of progress in particular areas of chemistry. For over 80 years the Royal Society of Chemistry and its predecessor, the Chemical Society, have been publishing reports charting developments in chemistry, which originally took the form of Annual Reports. However, by 1967 the whole spectrum of chemistry could no longer be contained within one volume and the series Specialist Periodical Reports was born. The Annual Reports themselves still existed but were divided into two, and subsequently three, volumes covering Inorganic, Organic and Physical Chemistry. For more general coverage of the highlights in chemistry they remain a 'must'. Since that time the SPR series has altered according to the fluctuating degree of activity in various fields of chemistry. Some titles have remained unchanged, while others have altered their emphasis along with their titles; some have been combined under a new name whereas others have had to be discontinued. The current list of Specialist Periodical Reports can be seen on the inside flap of this volume.

The union of covalent and noncovalent chemistries manifested in the mechanical bond represents one of the great chemical triumphs of the last half century. However, until recently, the preparation of mechanically interlocked compounds has often been an inefficient and limiting process. This thesis provides a detailed account of the great strides taken to increase the synthetic accessibility of donor-acceptor mechanically interlocked molecules by the application of highly efficient and ultra mild chemical transformations during their template-directed synthesis. These new departures in synthesis have indeed played a transformative role in that more complex, higher-order, and functional architectures - once only a dream - are now comfortably within reach. Specifically, the formation of mechanical bonds in higher order rotaxanes and catenanes has become ever easier through the use of highly efficient click chemistries. The resulting mechanically interlocked compounds are functional molecular media for a host of applications including information storage, mechanical actuation, and drug release.

Polyolefin is a major industry that is important for our economy and impacts every aspect of our lives. The discovery of new transition metal-based catalysts is one of the driving forces for the further advancement of this field. Whereas the classical heterogeneous Ziegler-Natta catalysts and homogeneous early transition metal metallocene catalysts remain the workhorses of the polyolefin industry, in roughly the last decade, tremendous progress has been made in developing non-metallocene-based olefin polymerization catalysts. Particularly, the discovery of late transition metal-based olefin polymerization catalysts heralds a new era for this field. These late transition metal complexes not only exhibit high activities rivaling their early metal counterparts, but more importantly they offer unique properties for polymer architectural control and copolymerization with polar olefins. In this book, the most recent major breakthroughs in the development of new olefin polymerization catalysts, including early metal metallocene and non-metallocene complexes and late transition metal complexes, are discussed by leading experts. The authors highlight the most important discoveries in catalysts and their applications in designing new polyolefin-based functional materials.

This thesis presents an experimental study of the ultrafast molecular dynamics of CO_2 DEGREES+ that are induced by a strong, near-infrared, femtosecond laser pulse. In particular, typical strong field phenomena such as tunneling ionisation, nonsequential double ionisation and photo-induced dissociation are investigated and controlled by employing an experimental technique called impulsive molecular alignment. Here, a first laser pulse fixes the molecule in space, such that the molecular dynamics can be studied as a function of the molecular geometry with a second laser pulse. The experiments are placed within the context of the study and control of ultrafast molecular dynamics, where sub-femtosecond (10 DEGREES-15 seconds) resolution in ever larger molecular systems represents the current frontier of research. The thesis presents the required background in strong field and molecular physics, femtosecond laser architecture and experimental techniques in a clear and accessible language that does not require any previous knowledge in

This book documents the proceedings of the Third Symposium on Particles in Gases and Liquids: Detection, Characterization and Control held as a part of the 22nd Annual Meeting of the Fine Particle Society in San Jose, California, July 29-August 2, 1991. This series of symposia was initiated in 1987 in light of the growing importance to eliminate particles from process gases and liquids. As pointed out in the Preface to antecedent volumes in this series that particles in process gases and liquids could cause significant yield losses in precision manufacturing and concomitantly there has been heightened interest in understanding the behavior of particles in gases and liquids and devising ways to eliminate, or at least reduce substantially, these particles. The concern about particles in gases and liquids has been there for qui.te some time in the microelectronics arena, but there are other areas also where particles are of significant concern, e.g. in operation theatres in hospitals, food and beverage industry, and pharmaceutical manufacturing. This symposium basically had the same objectives as its predecessors, but to provide an update on the R&D activity taking place in the arena of particle detection, characterization and control. The printed program comprised a total of 28 papers dealing with variegated aspects of particles in gases and liquids. There were brisk and lively discussions and the attendees offered many positive comments, which goes to show that it was a well-received and needed symposium.

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.

This edition of Thermodynamics is a thoroughly revised, streamlined, and cor rected version of the book of the same title, first published in 1975. It is intended for students, practicing engineers, and specialists in materials sciences, metallur gical engineering, chemical engineering, chemistry, electrochemistry, and related fields. The present edition contains many additional numerical examples and prob lems. Greater emphasis is put on the application of thermodynamics to chemical, materials, and metallurgical problems. The SI system has been used through out the textbook. In addition, a floppy disk for chemical equilibrium calculations is enclosed inside the back cover. It contains the data for the elements, oxides, halides, sulfides, and other inorganic compounds. The subject material presented in chapters III to XIV formed the basis of a thermodynamics course offered by one of the authors (R.G. Reddy) for the last 14 years at the University of Nevada, Reno. The subject matter in this book is based on a minimum number of laws, axioms, and postulates. This procedure avoids unnecessary repetitions, often encountered in books based on historical sequence of development in thermodynamics. For example, the Clapeyron equation, the van't Hoff equation, and the Nernst distribution law all refer to the Gibbs energy changes of relevant processes, and they need not be presented as radically different relationships."

Advances in nanoscale science show that the properties of many materials are dominated by internal structures. In molecular cases, such as window glass and proteins, these internal structures obviously have a network character. However, in many partly disordered electronic materials, almost all attempts at understanding are based on traditional continuum models. This workshop focuses first on the phase diagrams and phase transitions of materials known to be composed of molecular networks. These phase properties characteristically contain remarkable features, such as intermediate phases that lead to reversibility windows in glass transitions as functions of composition. These features arise as a result of self-organization of the internal structures of the intermediate phases. In the protein case, this self-organization is the basis for protein folding. The second focus is on partly disordered electronic materials whose phase properties exhibit the same remarkable features. In fact, the phenomenon of High Temperature Superconductivity, discovered by Bednorz and Mueller in 1986, and now the subject of 75,000 research papers, also arises from such an intermediate phase. More recently discovered electronic phenomena, such as giant magnetoresistance, also are made possible only by the existence of such special phases. This book gives an overview of the methods and results obtained so far by studying the characteristics and properties of nanoscale self-organized networks. It demonstrates the universality of the network approach over a range of disciplines, from protein folding to the newest electronic materials.

This book is intended as an introduction to radioactivity and aerosols for the scientifically literate reader who has had no previous exposure to either of these subjects. Although its main focus is radioactive aerosols, on the road to this subject I provide short, somewhat independent introductions to both radioactivity and aerosols, with some emphasis on experimental aspects. The audience I have in mind is upper-level undergraduates or beginning graduate students with a minimum background of introductory college courses in physics, chemistry, and calculus. This book may also be useful to "crossover" professional- professionals in other fields of science and engineering, for example biology or geoscience, who would like a step-by-step introduction to this subject matter from the physical science perspective. In writing this book I have been sensitive to requests and suggestions from students who need some background in this subject matter but will probably not specialize in it. These students are bright, but busy, and they sometimes feel overwhelmed by the mass of information in advanced, comprehensive texts. No matter how noble the intentions of the authors (or the teachers assigning the books ), these students often do not have time to read such books through cover to cover, and they fmd it difficult to pick out a coherently-connected subset of the material. Furthermore, modern students studying an interdisciplinary subject like radioactive aerosols are likely to be more diversified than ever, in educational background, in interests, and in preparation.

It is difficult to overestimate the impact that density functional theory has had on computational quantum chemistry over the last two decades. Indeed, this period has seen it grow from little more than a theoreticalcuriosity to become a central tool in the computational chemist s armoury. Arguably no area of ch- istry has benefited more from the meteoric rise in density functional theory than inorganic chemistry. the ability to obtainreliable results in feasible ti- scales on systems containing heavy elements such as the d and f transition - tals has led to an enormous growth in computational inorganic chemistry. The inorganic chemical literature reflects this growth; it is almost impossible to open a modern inorganic chemistry journal without finding several papers devoted exclusively or in part to density functional theory calculations. The real imp- tance of the rise in density functional theory in inorganic chemistry is undou- edly the much closer synergy between theory and experiment than was p- viously posible. In these volumes, world-leading researchers describe recent developments in the density functional theory and its applications in modern inorganic and b- inorganic chemistry. These articles address key issues key issues in both sol- state and molecular inorganic chemistry, such as spectroscopy, mechanisms, catalysis, bonding and magnetism. The articles in volume I are more focussed on advances in density functional methodogy, while those in Volume II deal more with applications, although this is by no means a rigid distinction.