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.

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.

Molecular properties and reactions are controlled by electrons in the molecules. Electrons had been thought to be particles. Quantum mechanics showed that el- trons have properties not only as particles but also as waves. A chemical theory is required to think about the wave properties of electrons in molecules. These prop- ties are well represented by orbitals, which contain the amplitude and phase ch- acteristics of waves. This volume is a result of our attempt to establish a theory of chemistry in terms of orbitals - A Chemical Orbital Theory. The amplitude of orbitals represents a spatial extension of orbitals. An orbital strongly interacts with others at the position and in the direction of great extension. Orbital amplitude controls the reactivities and selectivities of chemical reactions. In the first paper on frontier orbital theory by Fukui the amplitude appeared in the form of its square, i.e., the density of frontier electrons in 1952 (Scheme 1). Orbital mixing rules were developed by Libit and Hoffmann and by Inagaki and Fukui in 1974 and Hirano and Imamura in 1975 to predict magnitudes of orbital amplitudes (Scheme 2) for understanding and designing stereoselective reactions.

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.

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.

Integrating both theoretical and applied aspects of electrochemistry, this acclaimed monograph series presents a review of the latest advances in the field. The current volume includes chapters on the mechanism of nerve excitation from an electrochemical standpoint, the electronic factor in the kinetics of charge-transfer reaction, and five other subjects.

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.

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 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.

"Advanced Topics in Theoretical Chemical Physics"" "is a collection of 20 selected papers from the scientific presentations of the Fourth Congress of the International Society for Theoretical Chemical Physics (ISTCP) held at Marly-le-Roi, France, in July 2002.

"Advanced Topics in Theoretical Chemical Physics" encompasses a broad spectrum in which scientists place special emphasis on theoretical methods in chemistry and physics. The chapters in the book are divided into five sections:

I: Advances Chemical Thermodynamics

II: Electronic Structure of Molecular Systems

III: Molecular Interaction and Dynamics

IV: Condensed Matter

V: Playing with Numbers

This book is an invaluable resource for all academics and researchers interested in theoretical, quantum or statistical, chemical physics or physical chemistry. It presents a selection of some of the most advanced methods, results and insights in this exciting area.

"Advanced Topics in Theoretical Chemical Physics" encompasses a broad spectrum in which scientists place special emphasis on theoretical methods in chemistry and physics. The chapters in the book are divided into five sections:

I: Advances Chemical Thermodynamics

II: Electronic Structure of Molecular Systems

III: Molecular Interaction and Dynamics

IV: Condensed Matter

V: Playing with Numbers

This book is an invaluable resource for all academics and researchers interested in theoretical, quantum or statistical, chemical physics or physical chemistry. It presents a selection of some of the most advanced methods, results and insights in this exciting area.

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."

"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.

Thermodynamics of non-equilibrium processes is a comparatively new area of thermodynamics. Traditionally this discipline is taught only to chemistry students who have a very strong background in physics. The author of the present book has adaptedhis course of thermodynamics of non-equilibrium processes so that the subject can be treated in terms understandable to any chemist with a formal physicochemical education in the fields of classical thermodynamics of equilibrium processes and traditional chemical kinetics.

The discipline combines thermodynamics and chemical kinetics and is helpful to researchers engaged in studying complex chemical transformations, in particular, catalytic transformations. For example, important concepts for such studies are conditions of kinetic irreversibility of complex stepwise stoichiometric reactions, rate-determining and rate-limiting stages, etc. In traditional chemical kinetics, these concepts are not very clear and tend to be concealed in courses. Fortunately, these concepts appear to be consistently and properly defined in terms of thermodynamics of non-equilibrium processes.

The present book is the synopsis of lectures on thermodynamics of non-equilibrium processes and a particular course on thermodynamics of operating catalysts.

Applies simple approaches of non-equilibrium thermodynamics to analyzing properties of chemically reactive systems

Covers systems far from equilibrium, allowing the consideration of most chemically reactive systems of a chemical or biological nature

This approach resolves many complicated problems in the teaching of chemical kinetics "

The focus of the present work is nonrelativistic and relativistic quantum mechanics with standard applications to the hydrogen atom. The author has aimed at presenting quantum mechanics in a comprehensive yet accessible for mathematicians and other non-physicists. The genesis of quantum mechanics, its applications to basic quantum phenomena, and detailed explanations of the corresponding mathematical methods are presented. The exposition is formalized (whenever possible) on the basis of the coupled Schroedinger, Dirac and Maxwell equations. Aimed at upper graduate and graduate students in mathematical and physical science studies.

This volume differs somewhat from the previous volumes in the series in that there is a strong emphasis on the physical aspects and not so much on the chemical aspects of intermetallic compounds. Two of the chapters are concerned with relatively new experimental methods of studying rare earth metallic phases - high energy neutron spectroscopy and light scattering. In these chapters the authors explain the new kinds of information one obtains from these techniques and how this complements the knowledge previously gleaned from the more common measurements - such as NMR, heat capacities, magnetic susceptibility, transport and elastic properties. One of the remaining three chapters deals with NMR studies of rare earth intermetallics and the final two chapters are concerned, not so much with a particular experimental technique, but with physical phenomena that occur in these compounds: the electron-phonon interaction and heavy fermion behavior.

This thesis presents studies on the interaction of soft materials like surfactants and proteins with hard silica nanomaterials. Due to its interdisciplinary nature it combines concepts from the fields of physical chemistry, nanoscience and materials science, yielding to fundamental insights into the structure-directing forces operating at the nano-scale. It is shown that the morphology of surfactant micellar aggregates adsorbed at the surface of nanoparticles and inside tubular nanopores can be tuned on demand by the co-adsorption of a surface modifier. The interaction of globular proteins with silica nanoparticles is dominated by electrostatic interactions and can be controlled by pH and ionic strength, while the bridging of nanoparticles by adsorbed protein molecules leads to large-scale hybrid aggregates of protein with the nanoparticles. Concepts emerging from the role of electrostatic interactions in the hetero-aggregation of nanoparticles with protein molecules are used for the co-assembly of charged microbeads into linear clusters and chains of controllable length.

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

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.

There is a growing need in both industrial and academic research to obtain accurate quantitative results from continuous wave (CW) electron paramagnetic resonance (EPR) experiments. This book describes various sample-related, instrument-related and software-related aspects of obtaining quantitative results from EPR expe- ments. Some speci?c items to be discussed include: selection of a reference standard, resonator considerations (Q, B, B ), power saturation, sample position- 1 m ing, and ?nally, the blending of all the factors together to provide a calculation model for obtaining an accurate spin concentration of a sample. This book might, at ?rst glance, appear to be a step back from some of the more advanced pulsed methods discussed in recent EPR texts, but actually quantitative "routine CW EPR" is a challenging technique, and requires a thorough understa- ing of the spectrometer and the spin system. Quantitation of CW EPR can be subdivided into two main categories: (1) intensity and (2) magnetic ?eld/mic- wave frequency measurement. Intensity is important for spin counting. Both re- tive intensity quantitation of EPR samples and their absolute spin concentration of samples are often of interest. This information is important for kinetics, mechanism elucidation, and commercial applications where EPR serves as a detection system for free radicals produced in an industrial process. It is also important for the study of magnetic properties. Magnetic ?eld/microwave frequency is important for g and nuclear hyper?ne coupling measurements that re?ect the electronic structure of the radicals or metal ions.

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.

This book reviews the most significant advances in concepts, methods, and applications of quantum systems in a broad variety of problems in modern chemistry, physics, and biology. In particular, it discusses atomic, molecular, and solid structure, dynamics and spectroscopy, relativistic and correlation effects in quantum chemistry, topics of computational chemistry, physics and biology, as well as applications of theoretical chemistry and physics in advanced molecular and nano-materials and biochemical systems. The book contains peer-reviewed contributions written by leading experts in the fields and based on the presentations given at the Twenty-Fourth International Workshop on Quantum Systems in Chemistry, Physics, and Biology held in Odessa, Ukraine, in August 2019. This book is aimed at advanced graduate students, academics, and researchers, both in university and corporation laboratories, interested in state-of-the-art and novel trends in quantum chemistry, physics, biology, and their applications.

This book discusses recent advances in theoretical-computational studies on the biosynthesis of melanin pigment (melanogenesis). These advances are being driven by the development of high-performance computers, new experimental findings, and extensive work on medical applications involving the control of pigmentation and the treatment of challenging dermatological diseases. Understanding the elementary processes involved in chemical reactions at the atomic scale is important in biochemical reaction design for effective control of the pigmentary system. Accordingly, the book focuses on the elementary steps involved in melanogenesis, which crucially affect the composition of the resulting melanin pigment by means of competitive reactions. The book also addresses reactions analogous to melanogenesis, with a focus on o-quinone reactions, which are especially important for understanding melanogenesis-associated cytotoxicity.

This volume is a continuation of the five volumes of "The Chemistry of the Actinide and Transactinide Elements" (published 2006). It expounds on topics in actinide science that are undergoing rapid scientific developments and that are germane to the safe development of nuclear energy in the 21st century, from nuclear fuels to the environmental science and management of waste.

The scope of Volume 6 encompasses: actinides in the geosphere, subsurface interactions of actinides species with microorganisms, chemistry of nuclear fuels, actinide waste forms and radiation effects, analytical chemistry of plutonium, actinide chalcogenide compounds, molecular spectroscopy and reaction of the actinide ions in the gas phase and rare gas matrices, and hydrothermal synthesis of actinide compounds.

This volume is written by active practitioners and recognized experts in their specialty areas. Each of the topics represents the current state of knowledge in this fascinating area of science and technology.