This series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. This stand-alone special topics volume reports recent advances in electron-transfer research with significant, up-to-date chapters by internationally recognized researchers.

The aim of this book is to relate fluid flows to chemical reactions. It focuses on the establishment of consistent systems of equations with their boundary conditions and interfaces, which allow us to model and deal with complex situations.Chapter 1 is devoted to simple fluids, i.e. to a single chemical constituent. The basic principles of incompressible and compressible fluid mechanics, are presented in the most concise and educational manner possible, for perfect or dissipative fluids. Chapter 2 relates to the flows of fluid mixtures in the presence of chemical reactions. Chapter 3 is concerned with interfaces and lines. Interfaces have been the subject of numerous publications and books for nearly half a century. Lines and curvilinear media are less known Several appendices on mathematical notation, thermodynamics and mechanics methods are grouped together in Chapter 4.This summary presentation of the basic equations of simple fluids, with exercises and their solutions, as well as those of chemically reacting flows, and interfaces and lines will be very useful for graduate students, engineers, teachers and scientific researchers in many domains of science and industry who wish to investigate problems of reactive flows. Portions of the text may be used in courses or seminars on fluid mechanics.

The theory of intermolecular forces has advanced very greatly in recent years. It has become possible to carry out accurate calculations of intermolecular forces for molecules of useful size, and to apply the results to important practical applications such as understanding protein structure and function, and predicting the structures of molecular crystals. The Theory of Intermolecular Forces sets out the mathematical techniques that are needed to describe and calculate intermolecular interactions and to handle the more elaborate mathematical models. It describes the methods that are used to calculate them, including recent developments in the use of density functional theory and symmetry-adapted perturbation theory. The use of higher-rank multipole moments to describe electrostatic interactions is explained in both Cartesian and spherical tensor formalism, and methods that avoid the multipole expansion are also discussed. Modern ab initio perturbation theory methods for the calculation of intermolecular interactions are discussed in detail, and methods for calculating properties of molecular clusters and condensed matter for comparison with experiment are surveyed.

The Advances in Chemical Physics series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. This volume explores the following topics: * Thermodynamic Perturbation Theory for Associating Molecules * Path Integrals and Effective Potentials in the Study of Monatomic Fluids at Equilibrium * Sponteneous Symmetry Breaking in Matter Induced by Degeneracies and Pseudogeneracies * Mean-Field Electrostatics Beyond the Point-Charge Description * First Passage Processes in Cellular Biology * Theoretical Modeling of Vibrational Spectra and Proton Tunneling in Hydroen-Bonded Systems

Acids and bases are ubiquitous in chemistry. Our understanding of them, however, is dominated by their behaviour in water. Transfer to non-aqueous solvents leads to profound changes in acid-base strengths and to the rates and equilibria of many processes: for example, synthetic reactions involving acids, bases and nucleophiles; isolation of pharmaceutical actives through salt formation; formation of zwitter- ions in amino acids; and chromatographic separation of substrates. This book seeks to enhance our understanding of acids and bases by reviewing and analysing their behaviour in non-aqueous solvents. The behaviour is related where possible to that in water, but correlations and contrasts between solvents are also presented. Fundamental background material is provided in the initial chapters: quantitative aspects of acid-base equilibria, including definitions and relationships between solution pH and species distribution; the influence of molecular structure on acid strengths; and acidity in aqueous solution. Solvent properties are reviewed, along with the magnitude of the interaction energies of solvent molecules with (especially) ions; the ability of solvents to participate in hydrogen bonding and to accept or donate electron pairs is seen to be crucial. Experimental methods for determining dissociation constants are described in detail. In the remaining chapters, dissociation constants of a wide range of acids in three distinct classes of solvents are discussed: protic solvents, such as alcohols, which are strong hydrogen-bond donors; basic, polar aprotic solvents, such as dimethylformamide; and low-basicity and low polarity solvents, such as acetonitrile and tetrahydrofuran. Dissociation constants of individual acids vary over more than 20 orders of magnitude among the solvents, and there is a strong differentiation between the response of neutral and charged acids to solvent change. Ion-pairing and hydrogen-bonding equilibria, such as between phenol and phenoxide ions, play an increasingly important role as the solvent polarity decreases, and their influence on acid-base equilibria and salt formation is described.

This book deals with a central topic at the interface of chemistry and physics - the understanding of how the transformation of matter takes place at the atomic level. Building on the laws of physics, the book focuses on the theoretical framework for predicting the outcome of chemical reactions. The style is highly systematic with attention to basic concepts and clarity of presentation. Molecular reaction dynamics is about the detailed atomic-level description of chemical reactions. Based on quantum mechanics and statistical mechanics or, as an approximation, classical mechanics, the dynamics of uni- and bi-molecular elementary reactions are described. The book features a detailed presentation of transition-state theory which plays an important role in practice, and a comprehensive discussion of basic theories of reaction dynamics in condensed phases. Examples and end-of-chapter problems are included in order to illustrate the theory and its connection to chemical problems.

Time-dependent density-functional theory (TDDFT) describes the quantum dynamics of interacting electronic many-body systems formally exactly and in a practical and efficient manner. TDDFT has become the leading method for calculating excitation energies and optical properties of large molecules, with accuracies that rival traditional wave-function based methods, but at a fraction of the computational cost. This book is the first graduate-level text on the concepts and applications of TDDFT, including many examples and exercises, and extensive coverage of the literature. The book begins with a self-contained review of ground-state DFT, followed by a detailed and pedagogical treatment of the formal framework of TDDFT. It is explained how excitation energies can be calculated from linear-response TDDFT. Among the more advanced topics are time-dependent current-density-functional theory, orbital functionals, and many-body theory. Many applications are discussed, including molecular excitations, ultrafast and strong-field phenomena, excitons in solids, van der Waals interactions, nanoscale transport, and molecular dynamics.

Handbook of Radioactivity Analysis: Radiation Physics and Detectors, Volume One, and Radioanalytical Applications, Volume Two, Fourth Edition, is an authoritative reference on the principles, practical techniques and procedures for the accurate measurement of radioactivity - everything from the very low levels encountered in the environment, to higher levels measured in radioisotope research, clinical laboratories, biological sciences, radionuclide standardization, nuclear medicine, nuclear power, and fuel cycle facilities, and in the implementation of nuclear forensic analysis and nuclear safeguards. It includes sample preparation techniques for all types of matrices found in the environment, including soil, water, air, plant matter and animal tissue, and surface swipes. Users will find a detailed discussion of our current understanding of the atomic nucleus, nuclear stability and decay, nuclear radiation, and the interaction of radiation with matter relating to the best methods for radionuclide detection and measurement.

Time-dependent density-functional theory (TDDFT) describes the quantum dynamics of interacting electronic many-body systems formally exactly and in a practical and efficient manner. TDDFT has become the leading method for calculating excitation energies and optical properties of large molecules, with accuracies that rival traditional wave-function based methods, but at a fraction of the computational cost. This book is the first graduate-level text on the concepts and applications of TDDFT, including many examples and exercises, and extensive coverage of the literature. The book begins with a self-contained review of ground-state DFT, followed by a detailed and pedagogical treatment of the formal framework of TDDFT. It is explained how excitation energies can be calculated from linear-response TDDFT. Among the more advanced topics are time-dependent current-density-functional theory, orbital functionals, and many-body theory. Many applications are discussed, including molecular excitations, ultrafast and strong-field phenomena, excitons in solids, van der Waals interactions, nanoscale transport, and molecular dynamics.

Quantum Mechanics for Chemists is designed to provide chemistry undergraduates with a basic understanding of the principles of quantum mechanics. The text assumes some knowledge of chemical bonding and a familiarity with the qualitative aspects of molecular orbitals in molecules such as butadiene and benzene. Thus it is intended to follow a basic course in organic and/or inorganic chemistry. The approach is rather different from that adopted in most books on quantum chemistry in that the Schr/dinger wave equation is introduced at a fairly late stage, after students have become familiar with the application of de Broglie-type wavefunctions to free particles and particles in a box. Likewise, the Hamiltonian operator and the concept of eigenfunctions and eigenvalues are not introduced until the last two chapters of the book, where approximate solutions to the wave equation for many-electron atoms and molecules are discussed. In this way, students receive a gradual introduction to the basic concepts of quantum mechanics. Ideal for the needs of undergraduate chemistry students, Tutorial Chemistry Texts is a major series consisting of short, single topic or modular texts concentrating on the fundamental areas of chemistry taught in undergraduate science courses. Each book provides a concise account of the basic principles underlying a given subject, embodying an independent-learning philosophy and including worked examples."

Description
Surface Alloys and Alloy Surfaces is concerned with the structural, compositional, electronic and chemical properties of the surfaces of solids in which the surface layers, at least are alloyed. Two different categories of system are covered - the surfaces of bulk alloys (alloy surfaces) and surface phases in which one or more outermost atomic layers are alloyed, while the underlying bulk involves no such intermixing (surface alloys).
Importance of Topic
The surfaces of bulk alloys have long been known to be of practical interest for their chemical properties. It has also long been known that the surface composition of such alloys commonly differs from that of the underlying bulk. However, our understanding of these chemical and physical phenomena is far from complete and the application of surface science methods to investigate these phenomena is a manifestation of a general trend to study the surfaces of increasing complexity. Surface alloy formation, as a much more recently recognized phenomenon deserves more attention.
Why This Title
This title is important as it provides new insights into a mixture of new and old problems. It is the first to cover the important mixture of material on surface alloys and alloy surfaces. Each chapter is written by experts in different areas of these two interrelated topics, covering theory and experiment, physics and chemistry, geometrical and electronic structure. The coverage of the surface alloy topic is especially novel as it is relatively newly-recognised as quite a common phenomenon.

Acids and bases are ubiquitous in chemistry. Our understanding of them, however, is dominated by their behaviour in water. Transfer to non-aqueous solvents leads to profound changes in acid-base strengths and to the rates and equilibria of many processes: for example, synthetic reactions involving acids, bases and nucleophiles; isolation of pharmaceutical actives through salt formation; formation of zwitter- ions in amino acids; and chromatographic separation of substrates. This book seeks to enhance our understanding of acids and bases by reviewing and analysing their behaviour in non-aqueous solvents. The behaviour is related where possible to that in water, but correlations and contrasts between solvents are also presented. Fundamental background material is provided in the initial chapters: quantitative aspects of acid-base equilibria, including definitions and relationships between solution pH and species distribution; the influence of molecular structure on acid strengths; and acidity in aqueous solution. Solvent properties are reviewed, along with the magnitude of the interaction energies of solvent molecules with (especially) ions; the ability of solvents to participate in hydrogen bonding and to accept or donate electron pairs is seen to be crucial. Experimental methods for determining dissociation constants are described in detail. In the remaining chapters, dissociation constants of a wide range of acids in three distinct classes of solvents are discussed: protic solvents, such as alcohols, which are strong hydrogen-bond donors; basic, polar aprotic solvents, such as dimethylformamide; and low-basicity and low polarity solvents, such as acetonitrile and tetrahydrofuran. Dissociation constants of individual acids vary over more than 20 orders of magnitude among the solvents, and there is a strong differentiation between the response of neutral and charged acids to solvent change. Ion-pairing and hydrogen-bonding equilibria, such as between phenol and phenoxide ions, play an increasingly important role as the solvent polarity decreases, and their influence on acid-base equilibria and salt formation is described.

In the modern world of ever smaller devices and nanotechnology, electron crystallography emerges as the most important method capable of determining the structure of minute objects down to the size of individual atoms. Crystals of only a few millionths of a millimetre are studied. This is the first textbook explaining how this is done. Great attention is given to symmetry in crystals and how it manifests itself in electron microscopy and electron diffraction, and how this symmetry can be determined and taken advantage of in achieving improved electron microscopy images and solving crystal structures from electron diffraction patterns. Theory and practice are combined; experimental images, diffraction patterns, formulae and numerical data are discussed in parallel, giving the reader a complete understanding of what goes on inside the "black boxes" of computer programs. This up-to-date textbook contains the newest techniques in electron crystallography, including detailed descriptions and explanations of the recent remarkable successes in determining the very complex structures of zeolites and intermetallics. The controversial issue of whether there is phase information present in electron micrsocopy images or not is also resolved once and for all. The extensive appendices include computer labs which have been used at various courses at Stockholm University and international schools in electron crystallography, with applications to the textbook. Students can download image processing programs and follow these lab instructions to get a hands-on experience of electron crystallography.

Selected Works of Ya. B. Zeldovich is a two-volume collection of over 100 articles spanning half a century of work by the late Soviet scientist Yakov Borisovich Zeldovich. The breadth and depth of Zeldovich's work is staggering. Author of over twenty books and more than 500 scientific articles, he made fundamental contributions in chemical catalysis and kinetics, combustion and the hydrodynamics of explosive phenomena, nuclear chain reactions and nuclear energy, the physics of elementary particles, and the large-scale structure of the universe and cosmology. The importance of this collection lies not only in its documentary value as a collection of key scientific works by a man whose genius was characterized by the Soviet physicist Andrei Sakharov as "probably unique." Zeldovich himself considered his most valuable role to be that of a teacher, to convey to young scientists the how of science. The author of several excellent textbooks on topics ranging from elementary mathematics to advanced methods of mathematical physics, he saw this collection of works, enlarged from the original Russian edition, as a contribution to that end. Here one can see the scientific method at work--and all the enthusiasm, the breakthroughs, and the mistakes associated with real scientific endeavor. Commentaries by the author and the editors are included with each paper serving to enhance both the historical and the pedagogical value of this edition. Originally published in 1992. The Princeton Legacy Library uses the latest print-on-demand technology to again make available previously out-of-print books from the distinguished backlist of Princeton University Press. These editions preserve the original texts of these important books while presenting them in durable paperback and hardcover editions. The goal of the Princeton Legacy Library is to vastly increase access to the rich scholarly heritage found in the thousands of books published by Princeton University Press since its founding in 1905.

Physical Chemistry is a difficult and diversified subject. Based on a good long spell of university teaching, this book lays emphasis on the structure and continuity of the whole subject and tries to show the relation of its various parts to one another. Certain themes or, one might almost say, leitmotifs run through physical chemistry, and these have been used to unify the composition. The treatment is neither historical nor formally deductive, but at each stage the author tries to indicate the route by which an inquiring mind might most simply and naturally proceed in its attempt to understand that part of the nature of things included in physical chemistry.

This book is dedicated to the field of conductive polymers, focusing on electrical interactions with biological systems. It addresses the use of conductive polymers as the conducting interface for electrical communications with the biological system, both in vitro and in vivo. It provides an overview on the chemistry and physics of conductive polymers, their useful characteristics as well as limitations, and technologies that apply conductive polymers for medical purposes. This groundbreaking resource addresses cytotoxicity and tissue compatibility of conductive polymers, the basics on electromagnetic fields, and commonly used experimental methods. Readers will also learn how cells are cultured in vitro with conductive polymers, and how conductive polymers and living tissues interact electrically. Throughout the contents, chapter authors emphasize the importance of conductive polymers in biomedical engineering and their potential applications in medicine.

The Advances in Chemical Physics series presents the cutting edge in every area of the discipline and provides the field with a forum for critical, authoritative evaluations of advances. It provides an editorial framework that makes each volume an excellent supplement to advanced graduate classes, with contributions from experts around the world and a handy glossary for easy reference on new terminology. This series is a wonderful guide for students and professionals in chemical physics and physical chemistry, from academia, government, and industries including chemicals, pharmaceuticals, and polymers.

It is difficult to imagine how our highly evolved technological society would function, or how life would even exist on our planet, if polymers did not exist. The intensive study of polymeric systems, which has been under way for several decades, has recently yielded new insights into the properties of assemblies of these complex molecules and the physical principles that govern their behavior. These developments have included new concepts to describe aspects of the many body behavior in these systems, microscopic analyses that bring our understanding of these systems much closer to our understanding of simple liquids and solids, and the discovery of novel chemistry that these molecules can catalyze.
This special topic volume of Advances in Chemical Physics surveys a number of these recent accomplishments. Supplemented with more than 250 illustrations, it provides a significant, up-to-date selection of papers by inter-nationally recognized researchers.
Topics include:
* Theory of Polyelectrolyte Solutions
* Star Polymers: Experiment, Theory, and Simulation
* Tethered Polymer Layers
* Living Polymers
* Transport and Kinetics in Electroactive Polymers
Self-contained, authoritative, and timely, Polymeric Systems makes the cutting edge of polymer research available to scientists in every branch of chemical physics.
Contributors to POLYMERIC SYSTEMS
JEAN-LOUIS BARRAT, DA(c)partement de Physique des MatA(c)riaux, UniversitA(c) Claude Bernard-Lyon l, France
A. BAUMGARTNER, Institut fA1/4r FestkArperforschung, Germany
M. A. CARIGNANO, Department of Chemistry, Purdue University, West Lafayette, Indiana
LEWIS J. FETTERS, CorporateResearch Science Laboratories, Exxon Research and Engineering Company, Annandale, New Jersey
SANDRA C. GREER, Department of Chemical Engineering, University of Maryland at College Park
GARY S. GREST, Corporate Research Science Laboratories, Exxon Research and Engineering Company, Annandale, New Jersey
JOHN S. HUANG, Corporate Research Science Laboratories, Exxon Research and Engineering Company, Annandale, New Jersey
JEAN-FRANAOIS JOANNY, Institut Charles Sadron, France
MICHAEL E. G. LYONS, Electroactive Polymer Research Group, Physical Chemistry Laboratory, University of Dublin, Ireland
M. MUTHUKUMAR, Department of Polymer Science, University of Massachusetts, Amherst, Massachusetts
DIETER RICHTER, Institut fA1/4r FestkArperforschung, Germany
I. SZLEIFER, Department of Chemistry, Purdue University, West Lafayette, Indiana

Over the past several decades, a This book deals with the characterisation of the structure, the structure determination and the study of the physical properties, especially dynamical and electronic properties of aperiodic crystals. The treatment is based on a description in a space with more dimensions than three, the so-called superspace. This allows us to generalise the standard crystallography and to look differently at the dynamics. The three main classes of aperiodic crystals, modulated phases, incommensurate composites and quasicrystals are treated from a unified point of view, which stresses similarities of the various systems. The book assumes as a prerequisite a knowledge of the fundamental techniques of crystallography and the theory of condensed matter, and covers the literature at the forefront of the field. Since the first edition of this book in 2007, the field of aperiodic crystals has developed considerably, with the discovery of new materials and new structures. Progress has been made in structure determination, in the interpretation and understanding of the structural characteristics and in the calculation of electrons and phonons. This new edition reflects these new developments, and it includes discussions of natural quasicrystals, incommensurate magnetic and multiferroic structures, photonic and mesoscopic quasicrystals. The second edition also includes a number of new exercises that give the reader an opportunityt to check their understanding of the material.

This book consists of over 422 problems and their acceptable answers on structural inorganic chemistry at the senior undergraduate and beginning graduate level. The central theme running through these questions is symmetry, bonding and structure: molecular or crystalline. A wide variety of topics are covered, including Electronic States and Configurations of Atoms and Molecules, Introductory Quantum Chemistry, Atomic Orbitals, Hybrid Orbitals, Molecular Symmetry, Molecular Geometry and Bonding, Crystal Field Theory, Molecular Orbital Theory, Vibrational Spectroscopy, Crystal Structure, Transition Metal Chemistry, Metal Clusters: Bonding and Reactivity, and Bioinorganic Chemistry. The questions collected here originate from the examination papers and take-home assignments arising from the teaching of courses in Chemical Bonding, Elementary Quantum Chemistry, Advanced Inorganic Chemistry, and X-Ray Crystallography by the book's two senior authors over the past five decades. The questions have been tested by generations of students taking these courses. The questions in this volume cover essentially all the topics in a typical course in structural inorganic chemistry. The text may be used as a supplement for a variety of inorganic chemistry courses at the senior undergraduate level. It also serves as a problem text to accompany the book Advanced Structural Inorganic Chemistry, co-authored by W.-K. Li, G.-D. Zhou, and T. C. W. Mak (Oxford University Press, 2008).

Since their development in the 1990s, it has been discovered that diluted nitrides have intriguing properties that are not only distinct from those of conventional semiconductor materials, but also are conducive to various applications in optoelectronics and photonics. The book examines these applications and presents a broad and in-depth look at the basic electronic and optical properties of diluted nitrides. The aim of Physics and Applications of Diluted Nitrides is to provide graduate students, researchers and engineers with a comprehensive overview of the present knowledge and future perspectives of diluted nitrides. Co-authored by a group of leading scientists in the field, this book brings the reader up to speed on the development and current state of diluted nitride applications, as well as the technologies to be developed in the near future.

Over the past few decades, experimental excited state chemistry has moved into the femtochemistry era, where time resolution is short enough to resolve nuclear dynamics. Recently, the time resolution has moved into the attosecond domain, where electronic motion can be resolved as well. Theoretical chemistry is becoming an essential partner in such experimental investigations; not only for the interpretation of the results, but also to suggest new experiments. This book provides an integrated approach. The three main facets of excited-state theoretical chemistry; namely, mechanism, which focuses on the shape of the potential surface along the reaction path, multi-state electronic structure methods, and non-adiabatic dynamics, have been brought together into one volume. Theoretical Chemistry for Electronic Excited States is aimed at both theorists and experimentalists, involved in theoretical chemistry, in electronic structure computations and in molecular dynamics. The book will provide both with the knowledge and understanding to discover ways to work together more closely through its unified approach.

Preface; Ozonation of Hydrocarbons; Synthesis & Investigation Properties of Epoxy Containing Compounds & Composite Materials on their Basis; Biodegradable Binary & Ternary Blends of Cellulose & Ethyl Cellulose with Synthetic & Natural Polymers; Hydrosilylation Reactions of Polymethylhydrosiloxane with Acrylates & Methacrylates & Solid Polymer Electrolyte Membranes on their Basis; Biodetoxication of Aromatic Hydrocarbons in Aqueous Media; Modern Immunochemical & Biosensor Technologies for Analysis of Environmental Ecotoxicants; Poly (3-Hydroxybutyrate) with Ethylene-Propylene Copolymer Blends: Structure & Calorimetry Properties; Adaptogens Decrease the Generation of Reactive Oxygen Species by Mitochondria; Quantum-Chemical Calculation of Some Molecules Aromatic Olefines by the Method MNDO; Formation of Ozonides & their Stability in the Process of Unsaturated Polymers In Latex; Structures (Monomer & Dimer) of Sodium & Potassium 2-(N-Methylamide)-2-(3',5'-Di-Tert.Butyl-4-Hydroxybenzyl)-Malonates & Biological Properties; Reaction of Ozone with Some Oxygen-Containing Organic Compounds; Enhanced Oil Recovery Using Binary Mixture (BM) Reaction Products as an Alternative to Increasing Reservoir Water Content; Assessment of the Potential of Enhanced Oil Recovery from Reservoirs with High Water Content Using the Heat of Nitrate Oxidation Reactions & In Situ Hydrocarbon Oxidation; Blends of Poly(3-Hydroxybutyrate) with an Ethylene-Propylene Copolymer; Kinetics of Photoinitiated Copolymerization of Bifunctional (Meth)Acrylates till High Conversion: Numerical Verification of Kinetic Model of the Process; Degradation of Films Based on Mixtures of Vinyl Alcohol with Vinyl Acetate Copolymers & Polyhydroxybutyrate under UV-Radiation; Nanofibrous Polyhydroxybutyrate-Based Biomaterials; Influence of Aminoalkoxy- & Glycidoxyalkoxysilanes on Adhesion Characteristics of Ethylene Copolymers; The Study of Influence of Dihydroquercetin & Cyclodextrin Inclusion Complex with the New Dihydroquercetin Derivative on Ozone Oxidation of Fibrinogen; Challenges & Development Perspectives on Nanopatterned Implants Loaded with Drugs; The Structural Analysis of Nanocomposites Polymer/Organoclay Flame-Resistance; The Regularity of Cracks Formation on Vulcanized Elastomers under Ozone Action: Polyisoprene; The Evaluation of Efficiency of Deposition of Dispersed Particles in Inertial Dust Separator; Comparative Evaluation of Viability of Cells of Probiotic Strains by Luminescence Microscopy & Flow Cytometry; The Interrelation Structure & Thermodynamic Properties in the Five-Membered O- & N-Heterocyclic Compounds; Thermodynamic Properties & Structure of Heteroatom Derivatives of Indene; Development of Thermoplastic Vulcanizates Based on Isotactic Polypropylene & Ethylene-Propylene-Diene Elastomer; Conclusion; Index.