Physical chemistry Books

Book SynopsisUntil the early seventies, tautomeric i. e. fast and reversible rearrangement reactions accompanied by migrations of carbon-centered groups - were practi- cally unknown. For a long time it was assumed that the family of tautomeric reactions was confined to proto tropic transformations only. However, the discovery in the fifties of the reversible metallotropic rearrangements showed the domain of migratory tautomerism to be substantially broader. The synthesis of the metallotropic compounds was based on the substitution of a proton in prototropic compounds by an organometallic group. This approach rarely proved fruitful when attempting to effect tautomeric rearrangements of organic and organometallic groups formed by the elements to the right of carbon in the Periodic Table. By contrast, a novel approach involving an analysis of the steric requirements inherent in the structure of the transition state of a reactive center and an examination of the stereodynamic possibilities has given rise to a target-oriented molecular design of compounds capable of rapid and reversible intramolecular migration of the type indicated. The implementation of this ap- proach, which is the subject of the present book, has already led to the preparation of new tautomeric compounds in which such heavy organic migrants as acyl, aryl, sulfinyl, phosphoryl, arsinyl, and other groups migrate in molecules at a frequency 6 9 of 10 -10 S-I at ambient temperature, i. e. , at the rates comparable with protonic migrations.Trade Review`... provides a well-organized discussion of a large number of tautomeric transformations, many of them observed only during the last ten years.' `Overall, this is a highly useful and timely textbook that makes interesting reading for advanced undergraduate and graduate students in (physical) organic chemistry. The book is recommended, not only for personal purchase, but also for inclusion in all major chemical library collections.' Recueil des Travaux Chimiques des Pays-Bas, Vol. 107, No. 5, May 1988Table of Contents1. The Problem of Tautomerism.- 1. Tautomerism as Dynamic Isomerism.- 1.1. Molecular Structure and Isomerism.- 1.2. Bond Rupture Formation Criterion.- 1.3. Tautomerism and Rearrangements.- 1.4. Thermodynamic and Activational Scale of Tautomeric Processes.- 2. Degenerate Tautomerism.- 3. Methods for Investigating Tautomeric Systems.- 4. Butlerov’s and Laar’s Tautomeric Systems.- 5. Tautomerism and the Mechanisms of Organic Reactions.- 6. Classification of Tautomeric Reactions.- 6.1. Prototropy.- 6.2. Metallotropy.- 6.2.1. ?, ?-Transfers.- 6.2.2. ?, ?-Transfers.- 6.2.3. ?, ?-Transfers.- 6.3. Anionotropy.- 6.4. Valence Tautomerism.- 6.4.1. ?-Valence Tautomerism.- 6.4.2. ?, ?-Valence Tautomerism.- 6.4.3. ?-Valence Tautomerism.- 7. Conclusion.- References.- 2. Carbonotropy.- 1. The Problem of Carbonotropy.- 1.1. General Principles.- 1.2. Choice of a Migrant.- 2. Sigmatropic Acyl and Aryl Rearrangements.- 2.1. Acyl 1,3-Rearrangements.- 2.2. Aryl 1,3-Rearrangements.- 2.3. 1,5-and 1,7-Acyl Rearrangements.- 3. Acylotropic Tautomerism.- 3.1. Tautomeric 1,3-Acyl Rearrangements of the N,N?-diarylamidine Derivatives.- 3.2. Stereochemistry of Acyl Migration.- 3.3. Tautomeric 1,5-Acyl Rearrangements of O-Acylenols of 1,3-Diketone.- 3.4. Acylotropy of 9-Acyloxyphenalen-l-ones.- 3.5. Tautomerism of 2-Acyloxytropones.- 4. Tautomeric Rearrangements of Aryl Groups.- 4.1. 1,3-Rearrangements of Aryl Groups.- 4.2. O,O?-Migrations of the Aryl Groups in O-Aryl Derivatives of Tropolone and the Synthesis of Bipolar Spiro- ?-Complexes.- 4.3. Valence Tautomerism of O-Aryl Ethers of o-Hydroxybenzaldehydes and their Imines.- 5. Carbonotropic Tautomerism in Ions, Radicals and Cyclopolyenes.- 5.1. Acylotropic and Arylotropic Rearrangements in Anions.- 5.2. Acylotropy in Phenoxyl Radicals.- 5.3. Tautomeric Rearrangements of Carbocations.- 5.4. Acyl and Aryl Migrations in Cyclopolyenes.- References.- 3. General Principles of the Design of Tautomeric Systems.- 1. Possibilities of Quantum Mechanical Prediction of Tautomeric Reactions.- 1.1. Theoretical Evaluation of Free Energies of Tautomeric Equilibria.- 1.2. Theoretical Calculation of Activation Energies of Tautomeric Reactions.- 2. Stereochemical Approach to the Design of Tautomeric Compounds.- 2.1. Intramolecular Coordination of the Migrating Group.- 2.2. Cyclic Electron Transfer in the Sigmatropic Reaction and Multigraphs of Tautomeric Systems.- 2.3. Orbital Symmetry and Activation Barriers of Sigmatropic Shifts between Heteroatomic Centers.- 2.4. Steric Demands of the Transition State Structures.- 2.4.1. The Bond Configuration of the Central Atom.- 2.4.2. Structure of the Molecular System Connected with a Migrant.- 2.4.3. Addition-Rearrangement-Elimination (AdRE) Mechanism.- 2.5. Analogy in Steric Requirements between Fast Intramolecular, Enzymic and Topochemical Reactions.- References.- 4. The Mechanisms of Nucleophilic Substitution at the Main Group Element and Design of Intramolecular Tautomeric Systems.- 1. Tautomeric Rearrangements of Carbon-containing Groups.- 1.1. Alkyl Transfers.- 1.1.1. Alkyl Rearrangements.- 1.1.2. Stereochemistry of Nucleophilic Substitution Reactions at the sp3-hybridized Carbon Atom.- 1.1.3. Alkyl Migrations with Retention of Configuration at the sp3-carbon Atom.- 1.2. Vinylotropic Tautomerism.- 2. Silylotropic Tautomerism.- 3. Tautomeric Migrations of Phosphorus-containing Groups.- 3.1. PIV-Migrants.- 3.2. PIII-Migrants.- 3.3. PV-Migrants.- 4. Tautomeric Rearrangements of As-containing Groups.- 5. Tautomeric Rearrangements of Sulfur-containing Groups.- 5.1. SII-Migrants.- 5.2. SIII-Migrants.- 5.3. SIV-Migrants.- References.- 5. Dyotropic and Polytropic Tautomeric Systems.- 1. Scope and Definition.- 2. The Mechanism and Energetics of the Dyotropic Reactions.- 2.1. Concerted and Nonconcerted Dyotropic Rearrangements.- 2.2. Multigraphs of Dyotropic and Polytropic Systems.- 2.3. Quantum Mechanical Studies on the Mechanism of Dyotropic Reactions.- References.- 6. Dissociative and Photochemical Mechanisms of Intramolecular Tautomerism.- 1. Heterolytic Dissociative Mechanism.- 2. Homolytic Dissociative Mechanism.- 3. Ion-Radical Mechanism.- 4. Photo-Initiated Carbonotropic Rearrangements.- 4.1. Photochromic Transformations.- 4.2. Photoacylotropic Rearrangements.- 4.3. Photoacylotropic Compounds as Abiotic Photochemical Solar Energy Storage Systems.- 4.4. Photoinduced Aryl Rearrangements.- 4.5 Photo-Induced Rearrangements of the Csp3-centered Groups.- References.

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Book SynopsisWritten for students taking either the University of Cambridge Advanced Level examinations or the International Baccalaureate examinations, this guidebook covers essential topics and concepts under both stipulated chemistry syllabi. The book is written in such a way as to guide the reader through the understanding and applications of essential chemical concepts using the problem solving approach. The authors have also retained the popular discourse feature from their previous two books — Understanding Advanced Physical Inorganic Chemistry and Understanding Advanced Organic and Analytical Chemistry — to help learners better understand and see for themselves how the concepts should be applied to solve problems. Based on the Socratic Method, questions are implanted throughout the book to help facilitate the reader's development in forming logical conclusions of concepts and the way they are being applied to explain the problems. In addition, the authors have also included important summaries and concept maps to help learners recall, remember, reinforce and apply the fundamental chemical concepts in a simple way.Table of ContentsVolume 1: Part I: Physical Chemistry: Atomic Structure and the Periodic Table; Chemical Bonding; Ideal Gas and Gas Laws; Chemical Thermodynamics; Reaction Kinetics; Chemical Equilibria; Ionic Equilibria; Redox Chemistry and Electrochemical Cells; Part II: Inorganic Chemistry: The Periodic Table: Chemical Periodicity; Chemistry of Groups 2 and 7; Introduction to Transition Metals and Their Chemistry; Volume 2: Structure and Bonding; Isomerism in Organic Compounds; Organic Reactions and Mechanisms; Alkanes; Alkenes; Arenes; Halogen Derivatives; Alcohols and Phenol; Carbonyl Compounds; Carboxylic Acids and Their Derivatives; Amines; Amino Acids; Polymers; Summary of Important Organic Reactions;

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Book SynopsisThis book focuses on polymer–clay nanocomposite materials. It introduces readers to polymers, clays, and organo-clay and discusses the nature of interparticle interactions and physical adsorption, which are predominant in the synthesis of organo-clay; conversion of clay to organo-clay; interactions between functional groups in the interlayer region of clay and modifier ions; synthesis of organo-clays and their uses; and the commercial utilization of organo-clays. The text then covers the preparation of polymer–clay nanocomposites and their characterization, properties, performance, and applications.The primary goal of this book is to aid readers who wish to engage in the research and development of polymer–clay nanocomposites and to offer them an overview of the commonly used polymer–clay nanocomposites and their origins, manufacture, properties, and potential applications. This book will serve as a general introduction to researchers just entering the field and as a useful reference for scholars from other subfields.Trade Review"This book presents important aspects regarding the classification, characterization techniques, synthesis, and reactions of polymers and clays and addresses the synthesis procedures to obtain polymer–clay nanocomposites and their respective application range. It is an excellent source of knowledge in the field of polymer–clay nanocomposites and can be used by scientists, researchers, students, and industrials."— Prof. Guilherme L. Dotto, Federal University of Santa Maria, Brazil"A well-structured and easy-to-read book that follows the logical sequence of materials science, synthesis-characterization-practical application, and an excellent reference for those interested in getting a general overview of the fascinating polymer–clay nanocomposites with enhanced properties with respect to pure inorganic and organic solids and whose practical applications cover diverse areas." — Dr. Alberto Marinas-Aramendía, Campus de Rabanales, University of Cordoba, Spain"This book with updated literature provides an excellent reference for undergraduate and graduate students, researchers, and practitioners. It represents a complete and coherent study of the general concepts, characterization, and properties governing polymers and specifically polymer–clay nanocomposites. With commercial applications discussed throughout and experimental results connected with theory, this is an ideal reference for those working in polymer science." — Prof. Mahir Alkan, Balıkesir University, TurkeyTable of ContentsIntroduction to polymer and polymer synthesis. Surface chemistry of clay and organo-clay synthesis. Clay minerals: the mechanisms of surface modification of clay. Organo-clay synthesis methods. Polymer–clay nanocomposite synthesis methods. Types of polymer–clay nanocomposites: preparation of polymer–clay nanocomposites . Characterization of polymer–clay nanocomposites. Properties of polymer–clay nanocomposites. Applications of polymer–clay nanocomposites.

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Book SynopsisHydrogels are an emerging area of interest in medicine as well as pharmaceutics, and their physico-chemical characterization is fundamental to their practical applications. Compared with synthetic polymers, polysaccharides that are widely present in living organisms and come from renewable sources are extremely advantageous for hydrogel formation. Furthermore, polysaccharides are usually non-toxic and biocompatible and show a number of peculiar physico-chemical properties that make them suitable for a wide variety of biomedical applications. This book bridges the gap between the preparation of hydrogels and their characterization techniques. It aims to offer a valid support that can help the readers find appropriate keys to open the doors to the complex world of polysaccharide hydrogels.Trade Review"This book unveils the secrets of polysaccharide hydrogels that make them invaluable tools in the biomedical field. It presents elegant approaches to preparing hydrogels, techniques for a very detailed characterization of polysaccharides and their hydrogels, and recent applications."— Prof. Carmen Alvarez-Lorenzo, University of Santiago de Compostela, Spain"This book is one of the first to cover all the aspects of polysaccharide hydrogels from the basic aspects of chemistry and characterization to their biological relevance and medical applications and is a great and comprehensive answer to the first questions concerning hydrogels."— Prof. Pierre Weiss, University of Nantes, France"‘The gel is easier to recognize than to define (Dorothy Jordan Lloyd, 1926). This book gives significant answers to this ‘old’ but still intriguing statement as it brings together most of the up-to-date information on the hot topic of hydrogels obtained from polysaccharides, and their preparation, characterization and application in the field of pharmaceutics."— Prof. Gaetano Giammona, University of Palermo and The Biophysics Institute, ItalyTable of ContentsIntroduction. Hydrogels. Rheological Characterization of Hydrogels. Hydrogel Mesh Size Evaluation. Dynamic Light Scattering. NMR Methodologies in the Study of Polysaccharides. Small-Angle Neutron Scattering of Polysaccharide Hydrogels. The Method of Small-Angle X-ray Scattering and Its Application to the Structural Analysis of Oligo- and Polysaccharides in Solution. Stimuli Responsive Polysaccharide-Based Hydrogels. Properties and Biomedical Applications of Gellan Gum Hydrogels. Polysaccharide Hydrogels with Magnetic Nanoparticles. Physical and Chemical Hyaluronic Acid hydrogels and Their Biomedical Applications. Alginate Hydrogels: Properties and Applications. Polysaccharide Hydrogels: The Present and the Future.

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Book SynopsisAs computational hardware continues to develop at a rapid pace, quantitative computations are playing an increasingly essential role in the study of biomolecular systems. One of the most important challenges that the field faces is to develop the next generation of computational models that strike the proper balance of computational efficiency and accuracy, so that the problems of increasing complexity can be tackled in a systematic and physically robust manner. In particular, properly treating intermolecular interactions is fundamentally important for the reliability of all computational models. In this book, contributions by leading experts in the area of biomolecular simulations discuss cutting-edge ideas regarding effective strategies to describe many-body effects and electrostatics at quantum, classical, and coarse-grained levels. The goal of the book is to not only provide an up-to-date snapshot of the current simulation field but also stimulate exchange of ideas across different sub-fields of modern computational (bio)chemistry. The text will be a useful reference for the biomolecular simulation community and help attract talented young students into this exciting frontier of research.Trade Review"This book is a state-of-the-art report on the description of molecular energetics using force fields, which are the most critical element in computer simulations of biomolecular systems. The 16 chapters, written by leaders in the field, provide in-depth reports on all important current issues, including the representation of polarization, quantum mechanics-based force fields, and coarse-grained approaches for RNA, DNA, and membranes. This is an important reference for anyone involved in computational studies in chemistry and biology, especially those who want a deeper understanding of the underlying representations of intra- and intermolecular energetics."—Prof. William L. Jorgensen, Yale University, USATable of ContentsQM and QM/MM Methods. Polarizable continuum models for (bio)molecular electrostatics: Basic theory and recent developments for macromolecules and simulations. A modified divide-and-conquer linear-scaling quantum force field with multipolar charge densities. Explicit polarization theory. Effective fragment potential method. Quantum mechanical methods for quantifying and analyzing non-covalent interactions and for force-field development. Force field development with density-based energy decomposition analysis. Atomistic Models. Differential geometry-based solvation and electrolyte transport models for biomolecular modeling: a review. Explicit inclusion of induced polarization in atomistic force fields based on the classical Drude oscillator model. Multipolar force fields for atomistic simulations. Quantum mechanics based polarizable force field for proteins. Status of the Gaussian electrostatic model, a density-based polarizable force field. Water models: Looking forward by looking backward. Coarse-Grained Models. A physics-based coarse-grained model with electric multipoles. Coarse-grained membrane force field based on Gay–Berne potential and electric multipoles. Perspectives on the coarse-grained models of DNA. RNA coarse-grained model theory.

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Book SynopsisThe use of microwaves has gradually democratized itself in several scientific areas and is now a common methodology in domains as different as chemistry, protein digestion, mining, and metallurgy. Materials chemistry is one field where microwave irradiation technologies are being studied. In recent years, development of nanotechnologies has increased the interest of materials scientists in these new technologies. Microwave methodologies are now routinely used in several areas of materials science, and new advances are ongoing. This book presents recent improvements in microwave engineering of materials and nanomaterials, interactions of microwave chemistry with materials, and advances in microwave technologies in several domains such as polymer synthesis and modification, processing of various materials (ceramics, glasses, metallic alloys, zeolites), and synthesis and functionalization of diverse nanomaterials (carbon nanotubes, MOF semiconductors, inorganic nanoparticles). The book will be of interest to all students and researchers in materials science and nanosciences who want to discover or increase their knowledge of microwave technology.Table of ContentsIntroduction to Microwave Chemistry. General Features of Microwave Interaction with Materials. Microwave-Assisted Synthesis and Modification of Polymers. Microwave Processing of Ceramics and Glasses. Microwave Processing of Composites, Glass-Ceramic Coatings and Metallic Alloys: An Overview. Microwaves Engineering for Synthesizing Clays and to Modify Properties in Zeolites. Microwave Engineering of Carbon Nanotubes, M. Sinha. Microwave Synthesis of Porous Zeolitic Metal Organic Frameworks (MOFs) Materials. Microwave-Assisted Synthesis of Metallic Nanoparticles. Microwave-Assisted Synthesis of Semiconductor Nanomaterials for Energy Conversion. Microwave Nano-Surface Engineering.

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Book SynopsisThis book illustrates interfacial properties, preparation, characterization, devices, and applications from the standpoint of nano-interfacial tailoring. Since the primary focus of the book is on the use of nanocomposite dielectrics in electrical applications, chapters are devoted to directly relevant topics, such as surface and bulk breakdown processes. However, the mechanisms that underpin such behavior are not unique. Therefore, the book also addresses related topics that range from the chemistry of polymer and nanocomposite degradation to the simulation of charge transport dynamics in disordered materials, thereby presenting a multi- and interdisciplinary approach to the area. It will serve as a practical handbook or graduate textbook and is supplemented by ample number of illustrations, case studies, practical examples, and historical perspectives.Trade Review"This book gives an excellent review of polymeric nanocomposites for dielectric applications, a truly interdisciplinary field between chemistry, physics, and electrical engineering. It covers fundamental concepts and historical reviews of the scientific progress as well as new enablers for a rapid advance in this area. These include methods to chemically design interfaces on a molecular level, three-dimensional imaging technologies on a nanometer level, and the rapid progress in material simulations. From an engineering point of view, the book discusses current and new application areas for nanocomposite dielectrics in the electric power and electronics industry. An outstanding reference for both scientists and engineers."—Dr. Henrik Hillborg, ABB, Sweden"This book brings together contributions from researchers active in the area of nanocomposites for electrical applications. Nano-tailoring is the theme of this book. The book is loaded with the most recent information on nanodielectric research, information that can be applied by those who develop their own nanocomposites. Researchers working in this area of research will greatly benefit from reading this book. So also will those in electrical power engineering technology, who will be able to use it to understand the implications of nanocomposite materials for the future of power distribution, and other applications where dielectric and insulating materials exposed to an electric field can offer significantly improved electrical properties as a result of inclusion of nanoparticles."IEEE Electrical Insulation Magazine"This book gives an excellent review of polymeric nanocomposites for dielectric applications, a truly interdisciplinary field between chemistry, physics, and electrical engineering. It covers fundamental concepts and historical reviews of the scientific progress as well as new enablers for a rapid advance in this area. These include methods to chemically design interfaces on a molecular level, three-dimensional imaging technologies on a nanometer level, and the rapid progress in material simulations. From an engineering point of view, the book discusses current and new application areas for nanocomposite dielectrics in the electric power and electronics industry. An outstanding reference for both scientists and engineers."—Dr. Henrik Hillborg, ABB, Sweden"This book brings together contributions from researchers active in the area of nanocomposites for electrical applications. Nano-tailoring is the theme of this book. The book is loaded with the most recent information on nanodielectric research, information that can be applied by those who develop their own nanocomposites. Researchers working in this area of research will greatly benefit from reading this book. So also will those in electrical power engineering technology, who will be able to use it to understand the implications of nanocomposite materials for the future of power distribution, and other applications where dielectric and insulating materials exposed to an electric field can offer significantly improved electrical properties as a result of inclusion of nanoparticles."IEEE Electrical Insulation MagazineTable of ContentsIntroduction. Preparation of nanoparticles. Nano-filler dispersion for tailoring of nanocomposite dielectrics. Nanoparticle surface modification for dielectric polymer nanocomposites. Characterization of nanocomposites. Theoretical aspects of interfaces. Computer simulation of nanocomposites at the molecular level. Electrical properties of polymer nanocomposites. Dielectric breakdown of polymer nanocomposites. Suppression of surface erosion by surface-treated fillers. Degradation of polymeric micro- and nanocomposites. Permittivity gradient composite material structures. Permeability control by nano-magnetic fillers: case study. High-density mounted components for electronic devices. Power applications.

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Book SynopsisThe current state and perspectives in natural and life sciences are strongly linked to the development of novel complex organic-inorganic materials at various levels of organization, including semiconductor quantum dots (QDs) and QD-based nanostructures with unique optical and physico-chemical properties. This book provides a comprehensive description of the morphology and main physico-chemical properties of self-assembled inorganic-dye nanostructures as well as some applications in the field of nanotechnology. It crosses disciplines to examine essential nanoassembly principles of QD interaction with organic molecules, excited state dynamics in nanoobjects, theoretical models, and methodologies. Based on ensemble and single-nanoobject detection, the book quantitatively shows (for the first time on a series of nanoassemblies) that surface-mediated processes (formation of trap states) dictate the probability of several of the most interesting and potentially useful photophysical phenomena (FRET- or non-FRET-induced quenching of QD photoluminescence) observed for colloidal QDs and QD–dye nanoassemblies. Further, nanostructures can be generated by nanolithography and thereafter selectively decorated with dye molecules. A similar approach applies to natural nanosized surface heterogeneities.Trade Review"This book provides a comprehensive overview of different aspects of hybrid nanostructures self-assembled from light-emitting inorganic semiconductor quantum dots and organic dyes. Single-nanoobject spectroscopy data analysis is especially useful, as it allows for sound insights into a variety of photophysical phenomena in these hybrid systems, such as luminescence quenching and FRET. The book will be a useful reference in the field of the synthesis, optical spectroscopy studies, and applications of hybrid inorganic-organic assemblies."—Prof. Andrey Rogach, City University of Hong Kong, Hong KongTable of ContentsStructural and Energetic Dynamics in Quantum Dot-Dye Nanoassemblies. Interrelation of Assembly Formation and Ligand Depletion in Colloidal Quantum Dots. Fluorescence Quenching of Semiconductor Quantum Dots by Multiple Dye Molecules. Static and Dynamic Quenching of Quantum Dot Photoluminescence by Organic Semiconductors and Dye Molecules. Selected Applications of QDs and QD-Based Nanoassemblies. Nanolithography and Decoration of Generated Nanostructures by Dye Molecules. Identification of Heterogeneous Surface Properties via Fluorescent Probe Molecules. Selective Surface Binding of Dye Molecules on Hybrid Humidity Sensors.

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Book SynopsisDendrimers are hyperbranched molecules with well-defined nanometer-scale dimensions. Important technological applications of these systems, both in biomedicine and materials science, have been recently proposed. Liquid crystal dendrimers are fascinating materials that combine the characteristics of dendrimers with the anisotropic physical behaviour and molecular self-organization typical of liquid crystals. This unique association of physical and chemical properties, together with the possibility of multi-selective functionalization put forward by dendrimers, opens new perspectives for applications. Nuclear magnetic resonance (NMR) is a powerful experimental technique applied in materials science and an important tool to the study of molecular organization and dynamics. This book presents an introduction to dendrimers properties with special insight into liquid crystal dendrimers and a detailed description of the NMR theory and experimental techniques used in the investigation of these materials. It also discusses recent NMR research results on liquid crystal dendrimers, with emphasis on molecular order and dynamics studies.This book introduces the properties of dendrimers, with special insight into liquid crystal dendrimers, and a detailed description of NMR theory and experimental techniques used in the investigation of these materials. It also discusses results of recent NMR research on liquid crystal dendrimers, with an emphasis on molecular order and dynamics studies. Advanced undergraduate and graduate students of physics, chemistry, and materials science and researchers in the fields of dendrimers, liquid crystals, and NMR will find the book extremely useful.Table of ContentsIntroduction. Liquid Crystals. Molecular Structures of Liquid Crystalline Dendrimers. Fundamentals of Nuclear Magnetic Resonance. NMR spectroscopy of anisotropic fluid systems. NMR relaxation and molecular dynamics. NMR relaxometry and molecular dynamics. NMR spectroscopy of liquid crystal dendrimers. NMR relaxometry of liquid crystal dendrimers.

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Book SynopsisThis collection of research articles and reviews covers the latest work in the design, delivery, dynamic abilities, and immune stimulation of RNA nanoparticles which have driven the utilization of their immunomodulatory properties. The unknown immune properties of nucleic acid nanoparticles have been a major hurdle in their adaptation until the works herein began assessing their structure-activity relationships. This collection chronologically follows the path of investigating the recognition of design components to implementing them into nucleic acid nanostructures. RNA nanotechnology is an emerging platform for therapeutics with increasing clinical relevance as this approach becomes more widely used and approved for the treatment of various diseases. The latest research aims to take advantage of RNA’s modular nature for the design of nanostructures which can interact with their environments to communicate programmed messages with intracellular pathways. In doing so, nanoparticles can be used to elicit or elude responses by the immune system as desired in conjunction with their therapeutic applications. Table of ContentsTherapeutic RNA Nanotechnology

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Book SynopsisAn account of the author's life with the atomic scientist Enrico Fermi, that covers Fermi's early childhood interest in science, and his rise in the Italian university system concurrent with the rise of fascism, his receipt of the Nobel Prize, their emigration to the United States in the 1930s, their experiences in America.

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Book SynopsisThis book offers concise information on the properties of polymeric materials, particularly those most relevant to physical chemistry and chemical physics. Extensive updates and revisions to each chapter include eleven new chapters on novel polymeric structures, reinforcing phases in polymers, and experiments on single polymer chains.Trade ReviewFrom the reviews of the second edition: "This edition of Physical Properties of Polymers Handbook is a mammoth undertaking with 63 chapters divided into nine parts and 100 distinguished contributors with affiliations in industry, academia, and governmental agencies. The objectives of the book are very ambitious. … The compilations of physical properties are very readable and, depending on one’s interests, range from the mundane and practical to the esoteric. … All in all, this is a very useful compendium and should have a place on every polymer scientist’s bookshelf." (George Christopher Martin, Journal of the American Chemical Society, Vol. 130 (3), 2008) "This handbook covers an enormous range of properties of polymeric materials, particularly those relevant to the areas of physical chemistry and chemical physics. … It is a reference work for researchers or advanced students studying polymeric materials. … The main goal of the book is to discuss and describe important results and modern developments. … If the reader … wishes to work in polymer applications or related areas, this is a good book to have available." (Christian Brosseau, Optics and Photonics News, February, 2008)Table of ContentsPreface to the Second Edition. -Preface to the First Edition. -STRUCTURE. -Chain Structures. -Names, Acronyms, Classes, and Structures of Some Important Polymers. -THEORY. -The Rotational Isomeric State Model. -Computational Parameters. -Theoretical Models and Simulations of Polymer Chains. -Scaling, Exponents, and Fractal Dimensions. -THERMODYNAMIC PROPERTIES. -Densities, Coefficients of Thermal Expansion, and Compressibilities of Amorphous Polymers. -Thermodynamic Properties of Proteins. -Heat Capacities of Polymers. -Thermal Conductivity. -Thermodynamic Quantities Governing Melting. -The Glass Temperature. -Sub-Tg Transitions. -Polymer-Solvent Interaction Parameter c. -Theta Temperatures. -Solubility Parameters. -Mark-Houwink-Staudinger-Sakurada Constants. -Polymers and Supercritical Fluids. -Thermodynamics of Polymer Blends. -SPECTROSCOPY. -NMR Spectroscopy of Polymers. -Broadband Dielectric Spectroscopy to Study the Molecular Dynamics of Polymers Having Different Molecular Architectures. -Group Frequency Assignments for Major Infrared Bands Observed in Common Synthetic Polymers. -Small Angle Neutron and X-Ray Scattering. -MECHANICAL PROPERTIES. -Mechanical Properties. -Chain Dimensions and Entanglement Spacings. -Temperature Dependences of the Viscoelastic Response of Polymer Systems. -Adhesives. -Some Mechanical Properties of Typical Polymer-Based Composites. -Polymer Networks and Gels. -Force Spectroscopy of Polymers: Beyond Single Chain Mechanics. -REINFORCING PHASES. -Carbon Black. -Properties of Polymers Reinforced with Silica. -Physical Properties of Polymer/Clay Nanocomposites. -Polyhedral Oligomeric Silsesquioxane (POSS). -Carbon Nanotube Polymer Composites: Recent Developments in Mechanical Properties. -Reinforcement Theories. -CRYSTALLINITY AND MORPHOLOGY. -Densities of Amorphous and Crystalline Polymers. -Unit Cell Information on Some Important Polymers. -Crystallization Kinetics of Polymers. -Block Copolymer Melts. -Polymer Liquid Crystals and Their Blends. -The Emergence of a New Macromolecular Architecture: 'The Dendritic State'. –Polyrotaxanes. -Foldamers: Nanoscale Shape Control at the Interface Between Small Molecules and High Polymers. -Recent Advances in Supramolecular Polymers. -ELECTRO-OPTICAL AND MAGNETIC PROPERTIES. -Conducting Polymers: Electrical Conductivity. -Conjugated Polymer Electroluminescence. -Magnetic, Piezoelectric, Pyroelectric, and Ferroelectric Properties of Synthetic and Biological Polymers. -Nonlinear Optical Properties of Polymers. -Refractive Index, Stress-Optical Coefficient, and Optical Configuration Parameter of Polymers. -RESPONSES TO RADIATION, HEAT, AND CHEMICAL AGENTS. -Ultraviolet Radiation and Polymers. -The Effects of Electron Beam and g-Irradiation on Polymeric Materials. –Flammability. -Thermal-Oxidative Stability and Degradation of Polymers. -Synthetic Biodegradable Polymers for Medical Applications. -Biodegradability of Polymers. -Properties of Photoresist Polymers. -Pyrolyzability of Preceramic Polymers. -OTHER PROPERTIES. -Surface and Interfacial Properties. -Acoustic Properties. -Permeability of Polymers to Gases and Vapors. –MISCELLANEOUS. –Definitions. -Units and Conversion Factors. -Subject Index

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Book SynopsisThe range of courses requiring a good basic understanding of chemical kinetics is extensive, ranging from chemical engineers and pharmacists to biochemists and providing the fundamentals in chemistry. Due to the wide reaching nature of the subject readers often struggle to find a book which provides in-depth, comprehensive information without focusing on one specific subject too heavily. Here Dr Margaret Wright provides an essential introduction to the subject guiding the reader through the basics but then going on to provide a reference which professionals will continue to dip in to through their careers. Through extensive worked examples, Dr Wright, presents the theories as to why and how reactions occur, before examining the physical and chemical requirements for a reaction and the factors which can influence these. * Carefully structured, each chapter includes learning objectives, summary sections and problems. * Includes numerous applications to show relevance ofTrade Review"…no other undergraduate kinetics treatment provides such a comprehensive development of the various experimental approaches." (Journal of Chemical Education, January 2005)Table of ContentsPreface. List of Symbols. 1. Introduction. 2. Experimental Procedures. 2.1 Detection, Identification and Estimation of Concentration of Species Present. 2.1.1 Chromatographic techniques: liquid-liquid and gas-liquid chromatography. 2.1.2 Mass spectrometry (MS). 2.1.3 Spectroscopic techniques. 2.1.4 Lasers. 2.1.5 Fluorescence. 2.1.6 Spin resonance methods: nuclear magnetic resonance (NMR). 2.1.7 Spin resonance methods: electron spin resonance (ESR). 2.1.8 Photoelectron spectroscopy and X-ray photoelectron spectroscopy. 2.2 Measuring the Rate of a Reaction. 2.2.1 Classification of reaction rates. 2.2.2 Factors affecting the rate of reaction. 2.2.3 Common experimental features for all reactions. 2.2.4 Methods of initiation. 2.3 Conventional Methods of Following a Reaction. 2.3.1 Chemical methods. 2.3.2 Physical methods. 2.4 Fast Reactions. 2.4.1 Continuous flow. 2.4.2 Stopped flow. 2.4.3 Accelerated flow. 2.4.4 Some features of flow methods. 2.5 Relaxation Methods. 2.5.1 Large perturbations. 2.5.2 Flash photolysis. 2.5.3 Laser photolysis. 2.5.4 Pulsed radiolysis. 2.5.5 Shock tubes. 2.5.6 Small perturbations: temperature, pressure and electric field jumps. 2.6 Periodic Relaxation Techniques: Ultrasonics. 2.7 Line Broadening in NMR and ESR Spectra. Further Reading. Further Problems. 3. The Kinetic Analysis of Experimental Data. 3.1 The Experimental Data. 3.2 Dependence of Rate on Concentration. 3.3 Meaning of the Rate Expression. 3.4 Units of the Rate Constant, k. 3.5 The Significance of the Rate Constant as Opposed to the Rate. 3.6 Determining the Order and Rate Constant from Experimental Data. 3.7 Systematic Ways of Finding the Order and Rate Constant from Rate/Concentration Data. 3.7.1 A straightforward graphical method. 3.7.2 log/log Graphical procedures. 3.7.3 A systematic numerical procedure. 3.8 Drawbacks of the Rate/Concentration Methods of Analysis. 3.9 Integrated Rate Expressions. 3.9.1 Half-lives. 3.10 First Order Reactions. 3.10.1 The half-life for a first order reaction. 3.10.2 An extra point about first order reactions. 3.11 Second Order Reactions. 3.11.1 The half-life for a second order reaction. 3.11.2 An extra point about second order reactions. 3.12 Zero Order Reaction. 3.12.1 The half-life for a zero order reaction. 3.13 Integrated Rate Expressions for Other Orders. 3.14 Main Features of Integrated Rate Equations. 3.15 Pseudo-order Reactions. 3.15.1 Application of pseudo-order techniques to rate/concentration data. 3.16 Determination of the Product Concentration at Various Times. 3.17 Expressing the Rate in Terms of Reactants or Products for Non-simple Stoichiometry. 3.18 The Kinetic Analysis for Complex Reactions. 3.18.1 Relatively simple reactions that are mathematically complex. 3.18.2 Analysis of the simple scheme A_! 3.18.3 Two conceivable situations. 3.19 The Steady State Assumption. 3.19.1 Using this assumption. 3.20 General Treatment for Solving Steady States. 3.21 Reversible Reactions. 3.21.1 Extension to other equilibria. 3.22 Pre-equilibria. 3.23 Dependence of Rate on Temperature. Further Reading. Further Problems. 4. Theories of Chemical Reactions. 4.1 Collision Theory. 4.1.1 Definition of a collision in simple collision theory. 4.1.2 Formulation of the total collision rate. 4.1.3 The p factor. 4.1.4 Reaction between like molecules. 4.2 Modified Collision Theory. 4.2.1 A new definition of a collision. 4.2.2 Reactive collisions. 4.2.3 Contour diagrams for scattering of products of a reaction. 4.2.4 Forward scattering: the stripping or grazing mechanism. 4.2.5 Backward scattering: the rebound mechanism. 4.2.6 Scattering diagrams for long-lived complexes. 4.3 Transition State Theory. 4.3.1 Transition state theory, configuration and potential energy. 4.3.2 Properties of the potential energy surface relevant to transition state theory. 4.3.3 An outline of arguments involved in the derivation of the rate equation. 4.3.4 Use of the statistical mechanical form of transition state theory. 4.3.5 Comparisons with collision theory and experimental data. 4.4 Thermodynamic Formulations of Transition State Theory. 4.4.1 Determination of thermodynamic functions for activation. 4.4.2 Comparison of collision theory, the partition function form and the thermodynamic form of transition state theory. 4.4.3 Typical approximate values of contributions entering the sign and magnitude of _S61/4_. 4.5 Unimolecular Theory. 4.5.1 Manipulation of experimental results. 4.5.2 Physical significance of the constancy or otherwise of k1, k_1 and k2. 4.5.3 Physical significance of the critical energy in unimolecular reactions. 4.5.4 Physical significance of the rate constants k1, k_1 and k2. 4.5.5 The simple model: that of Lindemann. 4.5.6 Quantifying the simple model. 4.5.7 A more complex model: that of Hinshelwood. 4.5.8 Quantifying Hinshelwood's theory. 4.5.9 Critique of Hinshelwood's theory. 4.5.10 An even more complex model: that of Kassel. 4.5.11 Critique of the Kassel theory. 4.5.12 Energy transfer in the activation step. 4.6 The Slater Theory. Further Reading. Further Problems. 5. Potential Energy Surfaces. 5.1 The Symmetrical Potential Energy Barrier. 5.2 The Early Barrier. 5.3 The Late Barrier. 5.4 Types of Elementary Reaction Studied. 5.5 General Features of Early Potential Energy Barriers for Exothermic Reactions. 5.6 General Features of Late Potential Energy Surfaces for Exothermic Reactions. 5.6.1 General features of late potential energy surfaces where the attacking atom is light. 5.6.2 General features of late potential energy surfaces for exothermic reactions where the attacking atom is heavy. 5.7 Endothermic Reactions. 5.8 Reactions with a Collision Complex and a Potential Energy Well Further Reading. Further Problems. 6. Complex Reactions in the Gas Phase. 6.1 Elementary and Complex Reactions. 6.2 Intermediates in Complex Reactions. 6.3 Experimental Data. 6.4 Mechanistic Analysis of Complex Non-chain Reactions. 6.5 Kinetic Analysis of a Postulated Mechanism: Use of the Steady State Treatment. 6.5.1 A further example where disentangling of the kinetic data is necessary. 6.6 Kinetically Equivalent Mechanisms. 6.7 A Comparison of Steady State Procedures and Equilibrium Conditions in the Reversible Reaction. 6.8 The Use of Photochemistry in Disentangling Complex Mechanisms. 6.8.1 Kinetic features of photochemistry. 6.8.2 The reaction of H2 with I2. 6.9 Chain Reactions. 6.9.1 Characteristic experimental features of chain reactions. 6.9.2 Identification of a chain reaction. 6.9.3 Deduction of a mechanism from experimental data. 6.9.4 The final stage: the steady state analysis. 6.10 Inorganic Chain Mechanisms. 6.10.1 The H2/Br2 reaction. 6.10.2 The steady state treatment for the H2/Br2 reaction. 6.10.3 Reaction without inhibition. 6.10.4 Determination of the individual rate constants. 6.11 Steady State Treatments and Possibility of Determination of All the Rate Constants. 6.11.1 Important points to note. 6.12 Stylized Mechanisms: A Typical Rice-Herzfeld Mechanism. 6.12.1 Dominant termination steps. 6.12.2 Relative rate constants for termination steps. 6.12.3 Relative rates of the termination steps. 6.12.4 Necessity for third bodies in termination. 6.12.5 The steady state treatment for chain reactions, illustrating the use of the long chain approximation. 6.12.6 Further problems on steady states and the Rice-Herzfeld mechanism. 6.13 Special Features of the Termination Reactions: Termination at the Surface. 6.13.1 A general mechanism based on the Rice-Herzfeld mechanism used previously. 6.14 Explosions. 6.14.1 Autocatalysis and autocatalytic explosions. 6.14.2 Thermal explosions. 6.14.3 Branched chain explosions. 6.14.4 A highly schematic and simplified mechanism for a branched chain reaction. 6.14.5 Kinetic criteria for non-explosive and explosive reaction. 6.14.6 A typical branched chain reaction showing explosion limits. 6.14.7 The dependence of rate on pressure and temperature. 6.15 Degenerate Branching or Cool Flames. 6.15.1 A schematic mechanism for hydrocarbon combustion. 6.15.2 Chemical interpretation of 'cool' flame behaviour. Further Reading. Further Problems. 7. Reactions in Solution. 7.1 The Solvent and its Effect on Reactions in Solution. 7.2 Collision Theory for Reactions in Solution. 7.2.1 The concepts of ideality and non-ideality. 7.3 Transition State Theory for Reactions in Solution. 7.3.1 Effect of non-ideality: the primary salt effect. 7.3.2 Dependence of _S61/4_ and _H61/4_ on ionic strength. 7.3.3 The effect of the solvent. 7.3.4 Extension to include the effect of non-ideality. 7.3.5 Deviations from predicted behaviour. 7.4 _S61/4_ and Pre-exponential A Factors. 7.4.1 A typical problem in graphical analysis. 7.4.2 Effect of the molecularity of the step for which _S61/4_ is found. 7.4.3 Effect of complexity of structure. 7.4.4 Effect of charges on reactions in solution. 7.4.5 Effect of charge and solvent on _S61/4_ for ion-ion reactions. 7.4.6 Effect of charge and solvent on _S61/4_ for ion-molecule reactions. 7.4.7 Effect of charge and solvent on _S61/4_ for molecule-molecule reactions. 7.4.8 Effects of changes in solvent on _S61/4_. 7.4.9 Changes in solvation pattern on activation, and the effect on A factors for reactions involving charges and charge-separated species in solution. 7.4.10 Reactions between ions in solution. 7.4.11 Reaction between an ion and a molecule. 7.4.12 Reactions between uncharged polar molecules. 7.5 _H61/4_ Values. 7.5.1 Effect of the molecularity of the step for which the _H61/4_ value is found. 7.5.2 Effect of complexity of structure. 7.5.3 Effect of charge and solvent on _H61/4_ for ion-ion and ion-molecule reactions. 7.5.4 Effect of the solvent on _H61/4_ for ion-ion and ion-molecule reactions. 7.5.5 Changes in solvation pattern on activation and the effect on _H61/4_. 7.6 Change in Volume on Activation, _V61/4_. 7.6.1 Effect of the molecularity of the step for which _V61/4_ is found. 7.6.2 Effect of complexity of structure. 7.6.3 Effect of charge on _V61/4_ for reactions between ions. 7.6.4 Reactions between an ion and an uncharged molecule. 7.6.5 Effect of solvent on _V61/4_. 7.6.6 Effect of change of solvation pattern on activation and its effect on _V61/4_. 7.7 Terms Contributing to Activation Parameters. 7.7.1 _S61/4_. 7.7.2 _V61/4_. 7.7.3 _H61/4_. Further Reading. Further Problems. 8. Examples of Reactions in Solution. 8.1 Reactions Where More than One Reaction Contributes to the Rate of Removal of Reactant. 8.1.1 A simple case. 8.1.2 A slightly more complex reaction where reaction occurs by two concurrent routes, and where both reactants are in equilibrium with each other. 8.1.3 Further disentangling of equilibria and rates, and the possibility of kinetically equivalent mechanisms. 8.1.4 Distinction between acid and base hydrolyses of esters. 8.2 More Complex Kinetic Situations Involving Reactants in Equilibrium with Each Other and Undergoing Reaction. 8.2.1 A further look at the base hydrolysis of glycine ethyl ester as an illustration of possible problems. 8.2.2 Decarboxylations of _-keto-monocarboxylic acids. 8.2.3 The decarboxylation of _-keto-dicarboxylic acids. 8.3 Metal Ion Catalysis. 8.4 Other Common Mechanisms. 8.4.1 The simplest mechanism. 8.4.2 Kinetic analysis of the simplest mechanism. 8.4.3 A slightly more complex scheme. 8.4.4 Standard procedure for determining the expression for kobs for the given mechanism. 8.5 Steady States in Solution Reactions. 8.5.1 Types of reaction for which a steady state treatment could be relevant. 8.5.2 A more detailed analysis of Worked Problem 6.5. 8.6 Enzyme Kinetics. Further Reading. Further Problems. Answers to Problems. List of Specific Reactions. Index.

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Book SynopsisThis go-to text provides information and insight into physical inorganic chemistry essential to our understanding of chemical reactions on the molecular level. One of the only books in the field of inorganic physical chemistry with an emphasis on mechanisms, it features contributors at the forefront of research in their particular fields. This essential text discusses the latest developments in a number of topics currently among the most debated and researched in the world of chemistry, related to the future of solar energy, hydrogen energy, biorenewables, catalysis, environment, atmosphere, and human health.Table of ContentsPreface ix Contributors xi 1 Electron Transfer Reactions 1Ophir Snir and Ira A. Weinstock 2 Proton-Coupled Electron Transfer in Hydrogen and Hydride Transfer Reactions 39Shunichi Fukuzumi 3 Oxygen Atom Transfer 75Mahdi M. Abu-Omar 4 Mechanisms of Oxygen Binding and Activation at Transition Metal Centers 109Elena V. Rybak-Akimova 5 Activation of Molecular Hydrogen 189Gregory J. Kubas and Dennis Michael Heinekey 6 Activation of Carbon Dioxide 247 Ferenc Joo 7 Chemistry of Bound Nitrogen Monoxide and Related Redox Species 281Jose A. Olabe 8 Ligand Substitution Dynamics in Metal Complexes 339Thomas W. Swaddle 9 Reactivity of Inorganic Radicals in Aqueous Solution 395David M. Stanbury 10 Organometallic Radicals: Thermodynamics, Kinetics, and Reaction Mechanisms 429Tamas Kegl, George C. Fortman, Manuel Temprado, and Carl D. Hoff 11 Metal-Mediated Carbon--Hydrogen Bond Activation 495Thomas Brent Gunnoe 12 Solar Photochemistry with Transition Metal Compounds Anchored to Semiconductor Surfaces 551Gerald J. Meyer Index 589

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Book SynopsisWinner of the PROSE Award for Chemistry & Physics 2010 Acknowledging the very best in professional and scholarly publishing, the annual PROSE Awards recognise publishers'' and authors'' commitment to pioneering works of research and for contributing to the conception, production, and design of landmark works in their fields. Judged by peer publishers, librarians, and medical professionals, Wiley are pleased to congratulate Professor Ian Fleming, winner of the PROSE Award in Chemistry and Physics for Molecular Orbitals and Organic Chemical Reactions. Molecular orbital theory is used by chemists to describe the arrangement of electrons in chemical structures. It is also a theory capable of giving some insight into the forces involved in the making and breaking of chemical bondsthe chemical reactions that are often the focus of an organic chemist''s interest. Organic chemists with a serious interest in understanding and explaining their work usually express their Trade Review"Fleming uses nonquantitative molecular orbital theory to explain many common phenomena in organic chemistry. As such, this is a very powerful tool for students of advanced organic chemistry. Much of what is taken simply on faith or with some hand waving in sophomore organic chemistry can be readily explained with molecular orbital theory, which is usually considered too advanced for students at that level. Though this book could be used as theprimary textbook for a course solely on molecular orbitals in organic chemistry, it will more likely be used as a reference source for an advanced organic chemistry course for upper-level undergraduates or graduate students." (CHOICE, August 2010) "The new 'Fleming' is a must for every lecturer and every student of chemistry—a fantastic book. In this new form the textbook will last for another 30 years and remain as fresh as did its predecessor!" (Angewandte Chemie International Edition March 2010)Table of ContentsPreface. 1 Molecular Orbital Theory. 1.1 The Atomic Orbitals of a Hydrogen Atom. 1.2 Molecules made from Hydrogen Atoms. 1.3 C—H and C—C Bonds. 1.4 Conjugation—Hückel Theory. 1.5 Aromaticity. 1.6 Strained σ Bonds—Cyclopropanes and Cyclobutanes. 1.7 Heteronuclear Bonds, C—M, C—X and C=O. 1.8 The Tau Bond Model. 1.9 Spectroscopic Methods. 1.10 Exercises. 2 The Structures of Organic Molecules. 2.1 The Effects of π Conjugation. 2.2 σ Conjugation—Hyperconjugation. 2.3 The Configurations and Conformations of Molecules. 2.4 Other Noncovalent Interactions. 2.5 Exercises. 3 Chemical Reactions—How Far and How Fast. 3.1 Factors Affecting the Position of an Equilibrium. 3.2 The Principle of Hard and Soft Acids and Bases (HSAB). 3.3 Transition Structures. 3.4 The Perturbation Theory of Reactivity. 3.5 The Salem-Klopman Equation. 3.6 Hard and Soft Nucleophiles and Electrophiles. 3.7 Other Factors Affecting Chemical Reactivity. 4 Ionic Reactions—Reactivity. 4.1 Single Electron Transfer (SET) in Ionic Reactions. 4.2 Nucleophilicity. 4.3 Ambident Nucleophiles. 4.4 Electrophilicity. 4.5 Ambident Electrophiles. 4.6 Carbenes. 4.7 Exercises. 5 Ionic Reactions—Stereochemistry. 5.1 The Stereochemistry of the Fundamental Organic Reactions. 5.2 Diastereoselectivity. 5.3 Exercises. 6 Thermal Pericyclic Reactions. 6.1 The Four Classes of Pericyclic Reactions. 6.2 Evidence for the Concertedness of Bond Making and Breaking. 6.3 Symmetry-Allowed and Symmetry-Forbidden Reactions. 6.4 Explanations for the Woodward-Hoffmann Rules. 6.5 Secondary Effects. 6.6 Exercises. 7 Radical Reactions. 7.1 Nucleophilic and Electrophilic Radicals. 7.2 The Abstraction of Hydrogen and Halogen Atoms. 7.3 The Addition of Radicals to π Bonds 7.4 Synthetic Applications of the Chemoselectivity of Radicals. 7.5 Stereochemistry in some Radical Reactions. 7.6 Ambident Radicals. 7.7 Radical Coupling. 7.8 Exercises. 8 Photochemical Reactions. 8.1 Photochemical Reactions in General. 8.2 Photochemical Ionic Reactions. 8.3 Photochemical Pericyclic Reactions and Related Stepwise Reactions. 8.4 Photochemically Induced Radical Reactions. 8.5 Chemiluminescence. 8.6 Exercises. References. Index.

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Book SynopsisThe third edition of a classic text originally by Frost and Pearson, that describes the fundamental principles and established practices that apply to the study and the rates and mechanisms of homogeneous chemical reactions in the gas phase and in solution. Incorporates new advances made during the past 20 years in the study of individual molecular collisions by molecular-beam, laser applications to experimental kinetics, theoretical treatments of reaction rates and our understanding of the principles that govern rates of reaction in solution. Presents numerous examples of the deduction of mechanism from experiment, including intimate details such as stereochemistry and the dependence of reaction pathway on the exact energy states of reacting particles.Table of ContentsEmpirical Treatment of Reaction Rates. Experimental Methods and Treatment of Data. Elementary Processes: Molecular Collisions. Elementary Processes: Potential Energy Surfaces andTransition-State Theory. Simple Gas-Phase Reactions--Interplay of Theory andExperiment. Reactions in Solution. Complex Reactions. Homogeneous Catalysts. Chain Reactions. Photochemistry. Appendix.

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Book SynopsisThe Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics.Table of ContentsAtomic Force Microscopy of Polymer Films (M. Goh). Intrinsic Viscosity and the Polarizability of Particles Having aWide Range of Shapes (J. Douglas & E. Garboczi). The Phenomenological and Statistical Thermodynamics of NonuniformSystems (E. Wajnryb, et al.). Nonlinear Dielectric and Kerr Effect Relaxation in AlternatingFields (J. Dejardin & G. Debiais). Predicting Rare Events in Molecular Dynamics (J. Anderson). Theoretical Concepts in Molecular Photodissociation Dynamics (N.Henriksen). Chaos in Dissipative Systems: Understanding Atmospheric Physics (C.Nicolis & G. Nicolis). Indexes.

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Book SynopsisIn Resonances, Instability, and Irreversibility: The LiouvilleSpace Extension of Quantum Mechanics T. Petrosky and I. Prigogine Unstable Systems in Generalized Quantum Theory E. C. G. Sudarshan, Charles B. Chiu, and G. Bhamathi Resonances and Dilatation Analyticity in Liouville Space Erkki J. Brandas Time, Irreversibility, and Unstable Systems in QuantumPhysics E. Eisenberg and L. P. Horwitz Quantum Systems with Diagonal Singularity I. Antoniou and Z. Suchanecki Nonadiabatic Crossing of Decaying Levels V. V. and Vl. V. Kocharovsky and S. Tasaki Can We Observe Microscopic Chaos in the Laboratory? Pierre Gaspard Proton Nonlocality and Decoherence in Condensed Matter --Predictions and Experimental Results C. A. Chatzidimitriou-Dreismann We are at a most interesting moment in the history of science.Classical science emphasized equilibrium, stabilitTable of ContentsThe Liouville Space Extension of Quantum Mechanics (T. Petrosky& I. Prigogine). Unstable Systems in Generalized Quantum Theory (E. Sudarshan, etal.). Resonances and Dilation Analyticity in Liouville Space (E.Bandas). Time, Irreversibility and Unstable Systems in Quantum Physics (E.Eisenberg & L. Horwitz). Quantum Systems with Diagonal Singularity (I. Antoniou & Z.Suchanecki). Nonadiabatic Crossing of Decaying Levels (V. Kocharovsky, etal.). Can We Observe Microscopic Chaos in the Laboratory? (P. Gaspard) Proton Nonlocality and Decoherence in CondensedMatter-Predictions and Experimental Results (C.Chatzidimitriou-Dreismann). Indexes.

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Book SynopsisVolume 75 of the Organic Synthesis series contains 29 carefully checked and edited experimental procedures describing leading-edge synthetic methods, important reagents, and useful building blocks.Table of ContentsPartial table of contents: Catalytic Asymmetric Allylation Reactions:(S)-1-Phenylmethoxy)-4-Penten-2-OL (G. Keck & D.Krishnamurthy). Ethyl (R)-2-Azidopropionate (A. Thompson, et al.). (4R,5S)-4,5-Diphenyl-3-Vinyl-2-Oxazolidinone (T. Akiba, etal.). 3-Chloro-2-(Chloromethyl)-1-Propene (K. Lynch & W.Dailey) [1.1.1]Propellane (K. Lynch & W. Dailey). N-Benzyl-2,3-Azetidinedione (C. Behrens & L. Paquette). Preparation of Cyanoalkynes: 3-Phenyl-2-Propynenitrile (F.-T. Luo,et al.). 2-Trimethylsilylethane-Sulfonyl Chloride (SES-Cl) (S. Weinreb, etal.). 4-Dimethylamino-N-Triphenyl-Methylpyridinium Chloride (A. Bhatia,et al.). 6,7-Dihydrocyclopenta-1,3-Dioxin-5(4H)-One (K. Chen, et al.). 3-Cyclopentene-1-Carboxylic Acid (J.-P. Depres & A.Greene). Unchecked Procedures. Indexes.

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Book SynopsisThis book is a practical guide to producing slurries more efficiently, intelligently, and economically.Table of ContentsIntroduction to the Iron Oxides. Crystal Structure. Cation Substitution. Crystal Morphology and Size. Surface Area and Porosity. Electronic, Electrical and Magnetic Properties. Characterization. Thermodynamics. Solubility. Surface Chemistry and Colloidal Stability. Adsorption of Ions and Molecules. Dissolution. Formation. Transformations. Rocks and Ores. Soils. Organisms. Products of Ion Metal Corrosion. Applications. Synthesis.

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Book SynopsisBoasting numerous industrial applications, inorganic chemistry forms the basis for research into new materials and bioinorganic compounds such as calcium that act as biological catalysts.Table of ContentsHow to Use this Book Preface to the Series Editorial Consultants to the Series Contributors to Volume 1 1. The Formation of Bonds to Hydrogen (Part 1) 1.1. Introduction 1.2. The Formation of Hydrogen 1.3. The Formation of Hydrogen-Halogen Bonds 1.4. The Formation of Bonds between Hydrogen and Elements of Group VIB (O, S, Se, Te, Po List of Abbreviations Author Index Compound Index Subject Index

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Book SynopsisThis respected series is devoted to helping physicists and chemists obtain general information about a wide variety of topics in chemical physics. Experts present comprehensive analysis of the subject, encouraging the expression of individual points of view. This approach to the presentation of an overview of a subject both stimulates new research and serves as a personalized learning text for beginners in the field.Table of ContentsThe Thermodynamic Forces in an Interface (R. Lovett & M.Baus). Molecular Self-Assembly into Crystals at Air-Liquid Interfaces (I.Weissbuch, et al.). Some Applications of Fractional Calculus to Polymer Science (J.Douglas). The Newtonian Viscosity of a Moderately Dense Suspension (E.Wajnryb & J. Dahler). A Review of Foam Drainage (D. Weaire, et al.). Indexes.

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Book SynopsisThe estimation of the physicochemical properties (density, boiling point, melting point) of a compound is a vital tool in determining its applications, manufacturing, relations with the environment, and potential hazards to workers, users, and the environment.

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Book SynopsisP>Of related interest . . . THE COLLOIDAL DOMAIN Second Edition Where Physics, Chemistry, Biology, and Technology Meet D. Fennell Evans and Håkan Wennerström Fully updated and revised, this new edition of the critically acclaimed book incorporates information on key developments in colloid science and technology in the twentieth century. It provides a unified treatment of colloid theory, methods, and applications to specific systems, complete with concept maps, new worked examples, and more than 250 illustrations. 1999 (0-471-24247-0) 672 pp. FUNDAMENTALS OF INTERFACIAL ENGINEERING Robert J. Stokes and D. Fennell Evans This book emphasizes the importance of the intermolecular forces that hold materials together within a bulk phase or across an interface. It examines the fundamentals of the intermolecular interactions along with the properties, processing, and behavior of fluid interfacial systems. Solid surfaces and interfaTrade Review"...the whole volume is very satisfying to read." (Talanta, Vol 52, 2000) "...can certainly be recommended to anyone about to become involved in the area of colloid-polymer interactions." (Angewandte Chemie, 4th August 2000)Table of ContentsAPPLIED TECHNOLOGIES. Polyelectrolyte-Assisted Dewatering (R. Farinato, et al.). Polymer-Colloid Interactions in Pulp and Paper Manufacture (R. Pelton). Dual-Addition Schemes (G. Petzold). Role of Polymers in Particle Adhesion and Thin Particle Layers (M. Böhmer, et al.). FUNDAMENTALS OF COLLOID-POLYMER INTERACTION. Diffusion- Controlled Phenomena in Adsorbed Polymer Dynamics (M. Santore). Depletion-Induced Aggregation and Colloidal Phase Separation (A. Milling & B. Vincent). Polyelectrolyte Adsorption: Theory and Simulation (M. Muthukumar). Small-Angle Neutron Methods in Polymer Adsorption Studies (T. Cosgrove, et al.). METHODS FOR INVESTIGATING POLYMER ADSORPTION. Nuclear Magnetic Resonance of Surface Polymers (F. Blum). Radiochemical Methods for Polymer Adsorption (J. Schlenoff). Measurement of Colloidal Interactions Using the Atomic Force Microscope (P. Hartley). Surface Forces Apparatus: Studies of Polymers, Polyelectrolytes, and Polyelectrolyte-Surfactant Mixtures at Interfaces (P. Claesson). Scanning Angle Reflectometry and Its Application to Polymer Adsorption and Coadsorption with Surfactants (R. Tilton). Total Internal Reflectance Fluorescence (M. Santore). Design and Applications of Oscillating Optical Tweezers for Direct Measurements of Colloidal Forces (H. Ou-Yang). Index.

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Book SynopsisTHIS BOOK HAS SIX TUTORIALS AND REVIEWS WRITTEN BY INVITED EXPERTS. FIVE CHAPTERS TEACH TOPICS IN QUANTUM MECHANICS AND MOLECULAR SIMULATIONS. THE SIXTH CHAPTER EXPLAINS HOW PROGRAMS FOR CHEMICAL STRUCTURE DRAWING WORK. AN EDITORIAL DISCUSSES SOME OF THE MOST WELL-KNOWN PERSONAGES IN COMPUTATIONAL CHEMISTRY. FROM REVIEWS OF THE SERIES Anyone who is doing or intends to do computational research on molecular structure and design should seriously consider purchasing this book for his or her personal library.-JOURNAL OF COMPUTATIONAL CHEMISTRY. These reviews are becoming regarded as the standard reference among both specialists and novices in the expanding field of computational chemistry. -JOURNAL OF MOLECULAR GRAPHICS AND MODELLING. [This book is] written for newcomers learning about molecular modeling techniques as well as for seasoned professionals who need to acquire expertise in areas outside their own.-JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCE.Table of ContentsCalculations on Open-Shell Molecules: A Beginner's Guide (T. Bally & W. Borden). Basis Set Superposition Errors: Theory and Practice (N. Kestner & J. Combariza). Quantum Monte Carlo: Atoms, Molecules, Clusters, Liquids, and Solids (J. Anderson). Molecular Models of Water: Derivation and Description (A. Wallqvist & R. Mountain). Simulation of pH-Dependent Properties of Proteins Using Mesoscopic Models (J. Briggs & J. Antosiewicz). Structure Diagram Generation (H. Helson). Indexes.

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Book SynopsisThis series provides the chemical physics community with a forum for critical, authoritative evaluations of advances in every area of the discipline. Volume 111 continues to report recent advances with significant, up-to-date chapters by internationally-recognized researchers.Table of ContentsHydrogen Bonds with Large Proton Polarizability and Proton TransferProcesses in Electrochemistry and Biology (G. Zundel). Phase Space Approach to Dissipative Molecular Dynamics (D. Kohen& D. Tannor). Microscopic Theories of the Rheology of Stable ColloidalDispersions (R. Lionberger & W. Russel). The Rational g Factor of Diatomic Molecules in State ?1Sigma?+ or0?+ (J. Ogilvie, et al.). A Comparative Study Electron- and Positron-Polyatomic MoleculeScattering (M. Kimura, et al.). Indexes.

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Book SynopsisThis text presents specific applications to supramolecular and stereospecific synthesis. It discusses aspects of peptide and protein chemistry as well as highlighting how the amide linkage participates in the design of enzyme inhibitors, cyclic peptides and antibacterial agents.Trade Review"It makes extremely interesting reading" (Angewandte Chemie, International Edition 19 November 2001) "...will have a longer than average shelf life..."(European Peptide Society Newsletter, 1 January 2003) "...excellent chapters and provides plenty of useful background information on amide structure." (Angewandte Chemie, International Edition, Vol. 42, 2003)Table of ContentsThe Electron Density Distribution of Amides and Related Compounds (C. Breneman & M. Martinov). Origin of the Amide Rotational Barrier (K. Wiberg). The Amide Linkage as a Ligand-Its Properties and the Role of Distortion (A. Greenberg). Studies in Amide Hydrolysis: The Acid, Base, and Water Reactions (R. Brown). The Thermochemistry of Amides (J. Liebman, et al.). Stereospecificity in the -Lactam (Aziridinone) Synthon (R. Hoffman). -Lactams: Cyclic Amides of Distinction (A. Bose, et al.). Sterically Hindered Twisted Amides (S. Yamada). Photoelectron Spectroscopy of Amides and Lactams (P. Rademacher). The Role of Amides in the Noncovalent Synthesis of Supramolecular Structures in Solution, at Interfaces, and in Solids (G. Palmore & J. MacDonald). -Lactam Antibacterial Agents: Computational Chemistry Investigations (D. Boyd). Three-Dimensional Design of Enzyme Inhibitors with Heterocyclic Amide Bond Mimics (R. Bohacek & W. Shakespeare). Ab Initio Conformational Analysis of Protein Subunits: A Case Study of the Serine Diamide Model (A. Perczel & I. Csizmadia). Gas-Phase Ion Chemistry of Amides, Peptides, and Proteins (C. Cassady). -Sheet Interactions Between Proteins (S. Maitra & J. Nowick). Head-to-Tail Cyclic Peptides and Cyclic Peptide Libraries (A. Spatola & P. Romanovskis). From Crystal Structures of Oligopeptides to Protein Folding. The Importance of Peptide Bond-Side Chain Hyperconjugation (A. Cieplak). Role of the Peptide Bond in Protein Structure and Folding (N. Kallenbach, et al.). Index.

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Book SynopsisThis series of volumes represents research relative to advances in chemical physics. Edited by Nobel Prize winner Ilya Prigogine, Volume 115 is a special topical stand-alone two-volume work in a series.Trade Review"...studies continue the series in which specialists provide a general description of the status and developments in...chemical physics..." (SciTech Book News, March 2001)Table of ContentsEnergy Landscapes: From Clusters to Biomolecules (D. Wales, et al.). Solid-Fluid Equilibrium: Insights from Simple Molecular Models (P. Monson & D. Kofke). Irreversible Motion on Macroscopic and Molecular Timescales and Chemical Dynamics in Liquids (S. Adelman & R. Ravi). Chemical Reactions and Reaction Efficiency in Compartmentalized Systems (J. Kozak). Indexes.

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Book SynopsisProvides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. Continues to report recent advances with significant, up-to-date chapters. Contributing authors are internationally recognized researchers.Table of ContentsToward Ab Initio Theory of Long-Distance Electron Tunneling in Proteins: Tunneling Currents Approach (A. Stuchebrukhov). Magnetic Field Influence on Dynamics of Singlet-Triplet Conversion (V. Makarov & I. Khmelinskii). Classical and Quantum Magnetization Reversal Studies in Nanometer-Sized Particles and Clusters (W. Wernsdorfer). Dynamical Approach to Vibrational Relaxation (S. Okazaki). Author Index. Subject Index.

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Book SynopsisPart of the series, which provides the chemical physics field with a forum for critical, authoritative evaluations of advances in each area of the discipline. This work continues to report advances with significant chapters by internationally recognized researchers.Trade Review"Editor Stuart Rice is carrying on the fine tradition of the 'Advances in Chemical Physics' series by assembling authoritative reviews spanning a diverse range of topics in modern physical chemistry." (Journal of the American Chemical Society, June 23, 2004)Table of ContentsNucleation in Polymer Crystallization (M. Muthukumar). Theory of Constrained Brownian Motion (David C. Morse). Superparamagnetism and Spin Glass Dynamics of Interacting Magnetic Nanoparticle Systems (Petra E. Jönsson). Wavepacket Theory of Photodissociation and Reactive Scattering (Gabriel G. Balint-Kurti). The Momentum Density Perspective of the Electronic Structure of Atoms and Molecules (Ajit J. Thakkar). Author Index. Subject Index.

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Book SynopsisRecent years have seen significant growth and interest in physicochemical hydrodynamics that have resulted in major advances. This book revises and updates the first edition. The new material includes problems and a solution manual for instructors. Consistent demand has led to the publication of the second edition in this paperback version.Table of ContentsPreface to the Paperback Edition. Preface to the Second Edition. Preface to the First Edition. Acknowledgments for the First Edition. Introduction. Transport in Fluids. Equations of Change. Solutions of Uncharged Molecules. Solutions of Uncharged Macromolecules and Particles. Solutions of Electrolytes. Solutions of Charged Macromolecules and Particles. Suspension Stability and Particle Capture. Rheology and Concentrated Suspensions. Surface Tension. Appendix A. SI Units and Physical Constants. Appendix B. Symbols. Author Index. Subject Index.

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Book SynopsisAquatic Chemistry An Introduction Emphasizing Chemical Equilibria in Natural Waters Second Edition Edited by Werner Stumm and James J. Morgan This second edition of the renowned classic unites concepts, applications, and techniques with the growing amounts of data in the field. Expanded treatment is offered on steady-state and dynamic models employing mass-balance approaches and kinetic information. New chapters address such topics as: environmental aspects of aquatic chemistry; new material on organic compounds in natural water systems; the use of stable and radioactive isotopes in chemical and physical processes; the latest advances in marine chemistry; solid-solution interface; kinetic considerations of equilibria; metal-ligand interactions; and an expanded compilation of thermodynamic data for important reactions in natural water systems. 1981 (0 471-04831-3) Cloth 780 pp. (0 471-09173-1) Paper Chemical Processes in Lakes Edited by Werner Stumm This is a multidisciplinary analysis Table of ContentsPartial table of contents: Kinetics of Chemical Transformation (A. Stone & J.Morgan). Catalysis in Aquatic Environments (M. Hoffmann). The Kinetics of Trace Metal Complexation: Implications for MetalReactivity in Natural Waters (J. Hering & F. Morel). Chemical Transformations of Organic Pollutants in the AquaticEnvironment (R. Schwarzenbach & P. Gschwend). Ab-Initio Quantum-Mechanical Calculations of Surface Reactions--ANew Era? (A. Lasaga & G. Gibbs). Redox Reactions of Metal Ions at Mineral Surfaces (B.Wehrli). Modeling of the Dissolution of Strained and Unstrained MultipleOxides: The Surface Speciation Approach (J. Schott). Dissolution of Oxide Minerals: Rates Depend on Surface Speciation(W. Stumm & E. Wieland). Photoredox Reactions at Hydrous Metal Oxide Surfaces: A SurfaceCoordination Chemistry Approach (B. Sulzberger). Rate and Mechanism of Dissolution of Carbonates in the SystemCaCo3-MgCO3 (R. Wollast). Kinetics of Colloid Chemical Processes in Aquatic Systems (C.O'Melia). Kinetics of Chemical Weathering: A Comparison of Laboratory andField Weathering Rates (J. Schnoor). Transport and Kinetics in Surficial Processes (A. Lerman). Index.

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Book SynopsisPart of a multi-volume reference work which explores the important methods of instrumental chemical analysis, measurement and control. The contributors offer descriptions of the value, potential and limitation of each respective technique.Table of ContentsSurface Tension and Its Measurement (A. Couper). Techniques for the Study of Adsorption from Solution (N. Kallay, etal.). Scanning Tunneling Microscopy (A. de Lozanne). High Resolution Electron Energy Loss Spectroscopy (W. Ho). Secondary Ion Mass Spectroscopy (C. Greenlief & J.White). Molecular Beams: Probes of the Dynamics of Reactions on Surfaces(S. Ceyer, et al.). Laser-Induced Thermal Desorption (S. George). Index.

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Book SynopsisA celebrated classic in the field updated and expanded to includethe latest computerized calculation techniques In 1964, James N. Butler published a book in which he presentedsome simple graphical methods of performing acid-base, solubility,and complex formation equilibrium calculations. Today, both thebook and these methods have become standard for generations ofstudents and professionals in fields ranging from environmentalscience to analytical chemistry. Named a Citation Classic by theScience Citation Index in 1990, the book, Ionic Equilibrium,continues to be one of the most widely used texts on the subject.So why tamper with near-perfection by attempting a revision of thatclassic? The reason is simple-- the recent rapid development andwide availability of personal computers. In the revised Ionic Equilibrium, Dr. Butler updates his 1964 workby abandoning the slide rule and graph paper for the PCspreadsheet. He also expands the original coverage with extensivemateriTrade Review"This is by far the best textbook on chemical equilibrium I know. It is an absolute must for everybody using electrolyte solutions in his research..."(Jnl of Solid State Electrochemistry, Vol 5, 2001)Table of ContentsBasic Principles. Activity Coefficients and pH. Strong Acids and Bases. Monoprotic Acids and Bases. Polyprotic Acids and Bases. Solubility. Complex Formation. Organic Complexes. Oxidation--Reduction Equilibria. Carbon Dioxide. pH in Brines. Automated Computation Methods (by David R. Cogley). Index.

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Book SynopsisProvides synthetic chemists with a method for rapid retrieval of information from the literature, listing material by reaction type rather than by author name or publication date. Each updated volume presents the latest synthetic methods for preparation of monofunctional and difunctional compounds. The organization is logical and easy to follow; sections are arranged according to the possible interconversions between the major functional groups. Enables synthetic chemists to keep abreast of recent developments and retrieve a specific piece of information quickly and easily.Table of ContentsPreparation of Alkynes. Preparation of Acid Derivatives and Anhydrides. Preparation of Alcohols. Preparation of Aldehydes. Preparation of Alkyls, Methylenes and Aryls. Preparation of Amides. Preparation of Amines. Preparation of Esters. Preparation of Ethers, Epoxides and Thioethers. Preparation of Halides and Sulfonates. Preparation of Hydrides. Preparation of Ketones. Preparation of Nitriles. Preparation of Alkenes. Preparation of Oxides. Preparation of Difunctional Compounds. Author Index.

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Book SynopsisREVIEWS IN COMPUTATIONAL CHEMISTRY Kenny B. Lipkowitz, Raima Larter, and Thomas R. Cundari This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. TOPICS COVERED IN Volume 21 iNCLUDE AB INITIO QUANTUM SIMULATION IN SOLID STATE CHEMISTRY; MOLECULAR QUANTUM SIMILARITY; ENUMERATING MOLECULES; VARIABLE SELECTION; BIOMOLECULAR APPLICATIONS OF POISSON-BOLTZMANN METHODS; AND DATA SOURCES AND COMPUTATIONAL APPROACHES FOR GENERATING MODELS OF GENE REGULATORY NETWORKS. FROM REVIEWS OF THE SERIES Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry. --JOURNAL OF MOLECULAR GRAPHICS AND MODELLING One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that Table of Contents1. Ab Initio Quantum Simulation in Solid State Chemistry 1 (Roberto Dovesi, Bartolomeo Civalleri, Roberto Orlando, Carla Roetti, and Victor R. Saunders). 2. Molecular Quantum Similarity: Theory and Applications (Patrick Bultinck, Xavier Gironés, and Ramon Carbó-Dorca). 3. Enumerating Molecules (Jean-Loup Faulon, Donald P. Visco, Jr., and Diana Roe). 4. Variable Selection—Spoilt for Choice? (David J. Livingstone and David W. Salt). 5. Biomolecular Applications of Poisson–Boltzmann Methods (Nathan A. Baker). 6. Data Sources and Computational Approaches for Generating Models of Gene Regulatory Networks (Baltazar D. Aguda, Georghe Craciun, and Rengul Cetin-Atalay). Author Index. Subject Index.

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Book SynopsisFocused on the undergraduate audience, Chemical Reaction Engineering provides students with complete coverage of the fundamentals, including in-depth coverage of chemical kinetics. By introducing heterogeneous chemistry early in the book, the text gives students the knowledge they need to solve real chemistry and industrial problems.Table of Contents1. Reactions and Reaction Rates 1 1.1 Introduction 1 1.1.1 The Role of Chemical Reactions 1 1.1.2 Chemical Kinetics 2 1.1.3 Chemical Reactors 2 1.2 Stoichiometric Notation 3 1.3 Extent of Reaction and the Law of Definite Proportions 4 1.3.1 Stoichiometric Notation—Multiple Reactions 6 1.4 Definitions of Reaction Rate 8 1.4.1 Species-Dependent Definition 8 1.4.1.1 Single Fluid Phase 9 1.4.1.2 Multiple Phases 9 Heterogeneous Catalysis 9 Other Cases 10 1.4.1.3 Relationship between Reaction Rates of Various Species (Single Reaction) 10 1.4.1.4 Multiple Reactions 11 1.4.2 Species-Independent Definition 11 Summary of Important Concepts 12 Problems 12 2. Reaction Rates—Some Generalizations 16 2.1 Rate Equations 16 2.2 Five Generalizations 17 2.3 An Important Exception 33 Summary of Important Concepts 33 Problems 33 3. Ideal Reactors 36 3.1 Generalized Material Balance 36 3.2 Ideal Batch Reactor 38 3.3 Continuous Reactors 43 3.3.1 Ideal Continuous Stirred-Tank Reactor (CSTR) 45 3.3.2 Ideal Continuous Plug-Flow Reactor (PFR) 49 3.3.2.1 The Easy Way—Choose a Different Control Volume 51 3.3.2.2 The Hard Way—Do the Triple Integration 54 3.4 Graphical Interpretation of the Design Equations 54 Summary of Important Concepts 57 Problems 57 Appendix 3 Summary of Design Equations 60 4. Sizing and Analysis of Ideal Reactors 63 4.1 Homogeneous Reactions 63 4.1.1 Batch Reactors 63 4.1.1.1 Jumping Right In 63 4.1.1.2 General Discussion: Constant-Volume Systems 68 Describing the Progress of a Reaction 68 Solving the Design Equation 71 4.1.1.3 General Discussion: Variable-Volume Systems 74 4.1.2 Continuous Reactors 77 4.1.2.1 Continuous Stirred-Tank Reactors (CSTRs) 78 Constant-Density Systems 78 Variable-Density (Variable-Volume) Systems 80 4.1.2.2 Plug-Flow Reactors 82 Constant-Density (Constant-Volume) Systems 82 Variable-Density (Variable-Volume) Systems 84 4.1.2.3 Graphical Solution of the CSTR Design Equation 86 4.1.2.4 Biochemical Engineering Nomenclature 90 4.2 Heterogeneous Catalytic Reactions (Introduction to Transport Effects) 91 4.3 Systems of Continuous Reactors 97 4.3.1 Reactors in Series 98 4.3.1.1 CSTRs in Series 98 4.3.1.2 PFRs in Series 103 4.3.1.3 PFRs and CSTRs in Series 103 4.3.2 Reactors in Parallel 107 4.3.2.1 CSTRs in Parallel 107 4.3.2.2 PFRs in Parallel 109 4.3.3 Generalizations 110 4.4 Recycle 111 Summary of Important Concepts 114 Problems 114 Appendix 4 Solution to Example 4-10: Three Equal-Volume CSTRs in Series 122 5. Reaction Rate Fundamentals (Chemical Kinetics) 123 5.1 Elementary Reactions 123 5.1.1 Significance 123 5.1.2 Definition 125 5.1.3 Screening Criteria 126 5.2 Sequences of Elementary Reactions 129 5.2.1 Open Sequences 130 5.2.2 Closed Sequences 130 5.3 The Steady-State Approximation (SSA) 131 5.4 Use of the Steady-State Approximation 133 5.4.1 Kinetics and Mechanism 136 5.4.2 The Long-Chain Approximation 137 5.5 Closed Sequences with a Catalyst 138 5.6 The Rate-Limiting Step (RLS) Approximation 140 5.6.1 Vector Representation 141 5.6.2 Use of the RLS Approximation 142 5.6.3 Physical Interpretation of the Rate Equation 143 5.6.4 Irreversibility 145 5.7 Closing Comments 147 Summary of Important Concepts 147 Problems 148 6. Analysis and Correlation of Kinetic Data 154 6.1 Experimental Data from Ideal Reactors 154 6.1.1 Stirred-Tank Reactors (CSTRs) 155 6.1.2 Plug-Flow Reactors 156 6.1.2.1 Differential Plug-Flow Reactors 156 6.1.2.2 Integral Plug-Flow Reactors 157 6.1.3 Batch Reactors 158 6.1.4 Differentiation of Data: An Illustration 159 6.2 The Differential Method of Data Analysis 162 6.2.1 Rate Equations Containing Only One Concentration 162 6.2.1.1 Testing a Rate Equation 162 6.2.1.2 Linearization of Langmuir–Hinshelwood/Michaelis–Menten Rate Equations 165 6.2.2 Rate Equations Containing More Than One Concentration 166 6.2.3 Testing the Arrhenius Relationship 169 6.2.4 Nonlinear Regression 171 6.3 The Integral Method of Data Analysis 173 6.3.1 Using the Integral Method 173 6.3.2 Linearization 176 6.3.3 Comparison of Methods for Data Analysis 177 6.4 Elementary Statistical Methods 178 6.4.1 Fructose Isomerization 178 6.4.1.1 First Hypothesis: First-Order Rate Equation 179 Residual Plots 179 Parity Plots 180 6.4.1.2 Second Hypothesis: Michaelis–Menten Rate Equation 181 Constants in the Rate Equation: Error Analysis 184 Non-Linear Least Squares 186 6.4.2 Rate Equations Containing More Than One Concentration (Reprise) 186 Summary of Important Concepts 187 Problems 188 Appendix 6-A Nonlinear Regression for AIBN Decomposition 197 Appendix 6-B Nonlinear Regression for AIBN Decomposition 198 Appendix 6-C Analysis of Michaelis–Menten Rate Equation via Lineweaver–Burke Plot Basic Calculations 199 7. Multiple Reactions 201 7.1 Introduction 201 7.2 Conversion, Selectivity, and Yield 203 7.3 Classification of Reactions 208 7.3.1 Parallel Reactions 208 7.3.2 Independent Reactions 208 7.3.3 Series (Consecutive) Reactions 209 7.3.4 Mixed Series and Parallel Reactions 209 7.4 Reactor Design and Analysis 211 7.4.1 Overview 211 7.4.2 Series (Consecutive) Reactions 212 7.4.2.1 Qualitative Analysis 212 7.4.2.2 Time-Independent Analysis 214 7.4.2.3 Quantitative Analysis 215 7.4.2.4 Series Reactions in a CSTR 218 Material Balance on A 219 Material Balance on R 219 7.4.3 Parallel and Independent Reactions 220 7.4.3.1 Qualitative Analysis 220 Effect of Temperature 221 Effect of Reactant Concentrations 222 7.4.3.2 Quantitative Analysis 224 7.4.4 Mixed Series/Parallel Reactions 230 7.4.4.1 Qualitative Analysis 230 7.4.4.2 Quantitative Analysis 231 Summary of Important Concepts 232 Problems 232 Appendix 7-A Numerical Solution of Ordinary Differential Equations 241 7-A.1 Single, First-Order Ordinary Differential Equation 241 7-A.2 Simultaneous, First-Order, Ordinary Differential Equations 245 8. Use of the Energy Balance in Reactor Sizing and Analysis 251 8.1 Introduction 251 8.2 Macroscopic Energy Balances 252 8.2.1 Generalized Macroscopic Energy Balance 252 8.2.1.1 Single Reactors 252 8.2.1.2 Reactors in Series 254 8.2.2 Macroscopic Energy Balance for Flow Reactors (PFRs and CSTRs) 255 8.2.3 Macroscopic Energy Balance for Batch Reactors 255 8.3 Isothermal Reactors 257 8.4 Adiabatic Reactors 261 8.4.1 Exothermic Reactions 261 8.4.2 Endothermic Reactions 262 8.4.3 Adiabatic Temperature Change 264 8.4.4 Graphical Analysis of Equilibrium-Limited Adiabatic Reactors 266 8.4.5 Kinetically Limited Adiabatic Reactors (Batch and Plug Flow) 268 8.5 Continuous Stirred-Tank Reactors (General Treatment) 271 8.5.1 Simultaneous Solution of the Design Equation and the Energy Balance 272 8.5.2 Multiple Steady States 276 8.5.3 Reactor Stability 277 8.5.4 Blowout and Hysteresis 279 8.5.4.1 Blowout 279 Extension 281 Discussion 282 8.5.4.2 Feed-Temperature Hysteresis 282 8.6 Nonisothermal, Nonadiabatic Batch, and Plug-Flow Reactors 284 8.6.1 General Remarks 284 8.6.2 Nonadiabatic Batch Reactors 284 8.7 Feed/Product (F/P) Heat Exchangers 285 8.7.1 Qualitative Considerations 285 8.7.2 Quantitative Analysis 286 8.7.2.1 Energy Balance—Reactor 288 8.7.2.2 Design Equation 288 8.7.2.3 Energy Balance—F/P Heat Exchanger 289 8.7.2.4 Overall Solution 291 8.7.2.5 Adjusting the Outlet Conversion 291 8.7.2.6 Multiple Steady States 292 8.8 Concluding Remarks 294 Summary of Important Concepts 295 Problems 296 Appendix 8-A Numerical Solution to Equation (8-26) 302 Appendix 8-B Calculation of G(T) and R(T) for ‘‘Blowout’’ Example 304 9. Heterogeneous Catalysis Revisited 305 9.1 Introduction 305 9.2 The Structure of Heterogeneous Catalysts 306 9.2.1 Overview 306 9.2.2 Characterization of Catalyst Structure 310 9.2.2.1 Basic Definitions 310 9.2.2.2 Model of Catalyst Structure 311 9.3 Internal Transport 311 9.3.1 General Approach—Single Reaction 311 9.3.2 An Illustration: First-Order, Irreversible Reaction in an Isothermal,Spherical Catalyst Particle 314 9.3.3 Extension to Other Reaction Orders and Particle Geometries 315 9.3.4 The Effective Diffusion Coefficient 318 9.3.4.1 Overview 318 9.3.4.2 Mechanisms of Diffusion 319 Configurational (Restricted) Diffusion 319 Knudsen Diffusion (Gases) 320 Bulk (Molecular) Diffusion 321 The Transition Region 323 Concentration Dependence 323 9.3.4.3 The Effect of Pore Size 325 Narrow Pore-Size Distribution 325 Broad Pore-Size Distribution 326 9.3.5 Use of the Effectiveness Factor in Reactor Design and Analysis 326 9.3.6 Diagnosing Internal Transport Limitations in Experimental Studies 328 9.3.6.1 Disguised Kinetics 328 Effect of Concentration 329 Effect of Temperature 329 Effect of Particle Size 330 9.3.6.2 The Weisz Modulus 331 9.3.6.3 Diagnostic Experiments 333 9.3.7 Internal Temperature Gradients 335 9.3.8 Reaction Selectivity 340 9.3.8.1 Parallel Reactions 340 9.3.8.2 Independent Reactions 342 9.3.8.3 Series Reactions 344 9.4 External Transport 346 9.4.1 General Analysis—Single Reaction 346 9.4.1.1 Quantitative Descriptions of Mass and Heat Transport 347 Mass Transfer 347 Heat Transfer 347 9.4.1.2 First-Order, Reaction in an Isothermal Catalyst Particle—The Concept of a Controlling Step 348 hkvlc=kc _ 1 349 hkvlc=kc _ 1 350 9.4.1.3 Effect of Temperature 353 9.4.1.4 Temperature Difference Between Bulk Fluid and Catalyst Surface 354 9.4.2 Diagnostic Experiments 356 9.4.2.1 Fixed-Bed Reactor 357 9.4.2.2 Other Reactors 361 9.4.3 Calculations of External Transport 362 9.4.3.1 Mass-Transfer Coefficients 362 9.4.3.2 Different Definitions of the Mass-Transfer Coefficient 365 9.4.3.3 Use of Correlations 366 9.4.4 Reaction Selectivity 368 9.5 Catalyst Design—Some Final Thoughts 368 Summary of Important Concepts 369 Problems 369 Appendix 9-A Solution to Equation (9-4c) 376 10. ‘Nonideal’ Reactors 378 10.1 What Can Make a Reactor ‘‘Nonideal’’? 378 10.1.1 What Makes PFRs and CSTRs ‘‘Ideal’’? 378 10.1.2 Nonideal Reactors: Some Examples 379 10.1.2.1 Tubular Reactor with Bypassing 379 10.1.2.2 Stirred Reactor with Incomplete Mixing 380 10.1.2.3 Laminar Flow Tubular Reactor (LFTR) 380 10.2 Diagnosing and Characterizing Nonideal Flow 381 10.2.1 Tracer Response Techniques 381 10.2.2 Tracer Response Curves for Ideal Reactors (Qualitative Discussion) 383 10.2.2.1 Ideal Plug-How Reactor 383 10.2.2.2 Ideal Continuous Stirred-Tank Reactor 384 10.2.3 Tracer Response Curves for Nonideal Reactors 385 10.2.3.1 Laminar Flow Tubular Reactor 385 10.2.3.2 Tubular Reactor with Bypassing 385 10.2.3.3 Stirred Reactor with Incomplete Mixing 386 10.3 Residence Time Distributions 387 10.3.1 The Exit-Age Distribution Function, E(t) 387 10.3.2 Obtaining the Exit-Age Distribution from Tracer Response Curves 389 10.3.3 Other Residence Time Distribution Functions 391 10.3.3.1 Cumulative Exit-Age Distribution Function, F(t) 391 10.3.3.2 Relationship between F(t) and E(t) 392 10.3.3.3 Internal-Age Distribution Function, I(t) 392 10.3.4 Residence Time Distributions for Ideal Reactors 393 10.3.4.1 Ideal Plug-Flow Reactor 393 10.3.4.2 Ideal Continuous Stirred-Tank Reactor 395 10.4 Estimating Reactor Performance from the Exit-Age Distribution—The Macrofluid Model 397 10.4.1 The Macrofluid Model 397 10.4.2 Predicting Reactor Behavior with the Macrofluid Model 398 10.4.3 Using the Macrofluid Model to Calculate Limits of Performance 403 10.5 Other Models for Nonideal Reactors 404 10.5.1 Moments of Residence Time Distributions 404 10.5.1.1 Definitions 404 10.5.1.2 The First Moment of E(t) 405 Average Residence Time 405 Reactor Diagnosis 406 10.5.1.3 The Second Moment of E(t)—Mixing 407 10.5.1.4 Moments for Vessels in Series 408 10.5.2 The Dispersion Model 412 10.5.2.1 Overview 412 10.5.2.2 The Reaction Rate Term 413 Homogeneous Reaction 413 Heterogeneous Catalytic Reaction 415 10.5.2.3 Solutions to the Dispersion Model 415 Rigorous 415 Approximate (Small Values of D/uL) 417 10.5.2.4 The Dispersion Number 417 Estimating D/uL from Correlations 417 Criterion for Negligible Dispersion 419 Measurement of D/uL 420 10.5.2.5 The Dispersion Model—Some Final Comments 422 10.5.3 CSTRs-In-Series (CIS) Model 422 10.5.3.1 Overview 422 10.5.3.2 Determining the Value of ‘‘N’’ 423 10.5.3.3 Calculating Reactor Performance 424 10.5.4 Compartment Models 426 10.5.4.1 Overview 426 10.5.4.2 Compartment Models Based on CSTRs and PFRs 427 Reactors in Parallel 427 Reactors in Series 429 10.5.4.3 Well-Mixed Stagnant Zones 431 10.6 Concluding Remarks 434 Summary of Important Concepts 435 Problems 435 Nomenclature 440 Index 446

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Book SynopsisIntended for industrial chemists and chemical engineers, this book offers a concise review of the concepts and techniques applicable to emulsions and dispersions. Its topics are arranged under the headings of particulates, interfaces, stability of dispersions and dispersed-phase systems.Table of ContentsPARTICULATES. Optical Properties--Light Scattering. Kinetic Properties--Rheology. Statistical Properties. Size and Surface Area. Processing Methods for Making Emulsions and Suspensions. INTERFACES. Capillarity of Pure Liquids. The Relation of Capillarity to Phase Diagrams. Surface-active Solutes. Physical Properties of Insoluble Monolayers. Aqueous Solutions of Surface-active Solutes. Surface Activity in Nonaqueous Media. Thermodynamics of Adsorption from Solution. STABILITY OF DISPERSIONS. Forces of Attraction. Forces of Repulsion. Stability of Systems. Kinetics of Coagulation. DISPERSED-PHASED SYSTEMS. Emulsions. Foams. Suspensions. References. Bibliography. Appendix A: Physical Constants. Appendix B: Units. Appendix C: Mathematical Formulas. Appendix D: Electrostatic and Induction Contributions to Intermolecular Potential Energy. Appendix E: Electric Properties of Representative Molecules. Appendix F: Lifetimes of Contributing to Colloid and Interface Science. Appendix G: Kendall Awardees. Appendix H: Electrostatic Units. Appendix J: Manufacturers of Instruments. Appendix K: Manufacturers of Processing Equipment. Index.

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Book SynopsisOne in a series of volumes covering a broad range of techniques, this volume focuses on chiroptical spectroscopy, dipole moments, static magnetic techniques, ESR, NMR in liquids, GC, HPLC, size-exclusion chromatography and field-flow fractionation.Table of ContentsChiroptical Spectroscopy (A. Drake). Determination of Dipole Moments in Ground and Excited States (W.Baumann). Static Magnetic Techniques and Applications (L. Mulay & I.Mulay). Electron Spin Resonance (T. McKiney & I. Goldberg). New NMR Experiments in Liquids (G. Gray & J. Shoolery). Gas Chromatography (R. Keller). Size-Exclusion Chromatography (E. Patton). Field-Flow Fractionation (J. Giddings & K. Caldwell). Index.

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Book SynopsisOne of the most outstanding contributions of NMR to chemistry concerns the information which can be obtained at the molecular level as a result of the time-dependence of NMR spectra. The importance of this information is well illustrated by the large number of applications which have resulted from research in this field. To date, however, both the theory and its applications have only been available in widely scattered articles in the literature. Dynamics of Solutions and Fluid Mixtures by NMR is the first single volume giving a comprehensive coverage of time-dependent effects in NMR, and of the information which can be obtained by investigation of these phenomena. The ten chapters, all written by acknowledged experts in their respective fields, are arranged in a logical progression. The first three chapters give an overview of NMR spectroscopy and the fundamental aspects of molecular dynamics. Topics covered in later chapters include specific relaxation mechanisms, the use of field grTable of ContentsTimescales in NMR: Relaxation Phenomena in Relation with MolecularReorientation (D. Canet & J. Robert). Timescales in NMR: Nuclear Site Exchange and Dynamic NMR(J.-J. Delpuech). Nuclear Paramagnetic Spin Relaxation Theory: Paramagnetic SpinProbes in Homogeneous and Microheterogeneous Solutions (P.Westlund). Quadrupolar Probes in Solution (J. Grandjean & P.Laszlo). Solvent Exchange on Metal Ions: A Variable Pressure NMR Approach(U. Frey, et al.). Applications of Field Gradients in NMR (D. Canet & M.Decorps). Surfactant Solutions: Aggregation Phenomena and Microheterogeneity(B. Lindman, et al.). Polymers and Biopolymers in the Liquid State (M.Krajewski-Bertrand, et al.). Liquid-Like Molecules in Rigid Matrices and in Soft Matter (J.Cohen-Addad, et al.). Index.

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Book SynopsisDue to its interdisciplinary nature, crystallography is of major importance to a wide range of scientific disciplines including physics, chemistry, molecular biology, materials science and mineralogy. However, information is currently divided amongst traditional physics, chemistry and materials science books.Table of ContentsGeometrical Crystallography. Symmetry. Diffraction of X-Rays by Crystals. Tensor Properties of Crystals. Exercises. Index.

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Book SynopsisThe IUPAC Series on Analytical and Physical Chemistry of Environmental Systems provides the scientific community with a critical evaluation of the state of the art on physicochemical structures and reactions in environmental systems, as well as on the analytical techniques required to study and monitor these systems.Table of ContentsAtmospheric Aerosol Size Distribution (R. Jaenicke). Atmospheric Aerosol Sampling (D. Mark). Inorganic Composition of Atmospheric Aerosols (M. Claes, et al.). Speciation Techniques for Fine Atmospheric Aerosols (R. Tanner). Structural Heterogeneity within Airborne Particles (J. Injuk, et al.). Kinetics and Thermodynamics of Tropospheric Aerosols (A. Wexler & S. Potukuchi). Dioxins, Dibenzofurans and PCBs in Atmospheric Aerosols (S. Harrad). Polycyclic Aromatic Hydrocarbons in Atmospheric Particles (D. Smith & R. Harrison). Carbonaceous Combustion Aerosols (H. Cachier). Primary Biological Aerosol Particles: Their Significance, Sources, Sampling Methods and Size Distribution in the Atmosphere (S. Mathias-Maser). Formation of Aerosol Particles from Biogenic Precursors (C. Hewitt & B. Davison). Source Inventories for Atmospheric Trace Metals (J. Pacyna). Dry Deposition of Particles (M. Zufall & C. Davidson). Wet Processes Affecting Atmospheric Aerosols (S. Jennings). Condensed Water Aerosols (J. Heintzenberg). Influence of Atmospheric Aerosols upon the Global Radiation Balance (H. Horvath). Index.

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Book SynopsisRecent advances in both experimental techniques and theoretical methodologies have meant that increasingly sophisticated studies concerning the formation, structures, energetics and reaction dynamics of state- or energy-selected molecular ions can now be performed. In order to better serve the ion chemistry and physics community, each volume of this series is dedicated to reviewing a specific topic, emphasizing new experimental and theoretical developments in the study of ions. The Wiley Series in Ion Chemistry and Physics will help stimulate new research directions and point to future opportunities in the field of ion chemistry and physics. This volume, the fifth in the series, concentrates on the important area of organic ions. Our understanding of these ions has been significantly improved over the last decade due to both theoretical and experimental advances, and it is now routinely possible to calculate organic ion structures by ab initio molecular orbital methods with very high pTable of ContentsIntroduction and Applications of ab initio Methods (P. Botschwina& S. Schmatz). Photoionization, Photoelectron and Photodissocation Studies:Combining Experiment and Theory (C. Ng). The Calculation of Unimolecular Decay Rates with RRKM and ab initioMethods (T. Baer). Non-Adiabatic Processes in Ionic Dissociation Dynamics (J.Lorquet). Structure and Reactivity of Selected Distonic Radical Cations (R.Smith, et al.). Potential Energy Surfaces for Ion-Molecule Reactions (M.Gordon). Unimolecular and Bimolecular Chemistry of Gas Phase Ion (N.Nibbering, et al.). Indexes.

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Book SynopsisThe precipitation of metal oxides from aqueous solutions creates nanoparticles with interesting solid state properties, thus building a bridge between solution chemistry and solid state chemistry.Trade Review"To remedy a...gap in university curricula in teaching the physics and chemistry behind the synthesis of such solutions, Jolivet introduces the mechanism of oxide formation..." (SciTech Book News, Vol. 25, No. 4, December 2001)Table of ContentsINORGANIC CONDENSATION. Water and Cations in Aqueous Solution. Condensation and Precipitation in Aqueous Solution. Olation: Polycations and Solid Phases. Oxolation Polyanions and Solid Phases. Complexation and Condensation. SURFACE CHEMISTRY OF OXIDES. Oxide-Solution Interface. Modeling of the Oxide-Solution Interface. Stability of Colloidal Dispersions. Interface Reactions and Adsorption. Index.

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Book SynopsisPeroxy radicals are formed in biological systems, the atmosphere and agueous waste and are important intermediates in the breakdown both of organic molecules and several inorganic species. The implications of their chemistry are far reaching and of great importance. Until now their has been no one volume which bring together all aspects of peroxy radical chemistry - from their formation, to their wide and varied chemistry in the aqueous environment, biological systems, solid matrices, polymeric systems and the atmosphere. Peroxy radicals react with CFCs and HFCs in the atmosphere, resulting in the further destruction of the ozone layer - a point which is of topical interest.Table of ContentsPartial table of contents: Formation of Peroxyl Radicals in Solution (Z. Alfassi). Methods of Preparing Organic Peroxy Radicals for Laboratory Studies (O. Nielsen & T. Wallington). The Thermochemistry of Peroxides and Polyoxides, and their Free Radicals (S. Benson & N. Cohen). Ultraviolet Absorption Spectra of Peroxy Radicals in the Gas Phase (O. Nielsen & T. Wallington). Kinetic Studies of Organic Peroxyl Radicals in Aqueous Solutions and Mixed Solvents (Z. Alfassi, et al.). Electron Spin Resonance Studies of Peroxyl Radicals in Solid Matrices (C. Rhodes). Organic Peroxy Radicals in Polymeric Systems (Y. Hori). Peroxy Radicals and the Atmosphere (T. Wallington & O. Nielsen). Peroxyl Radicals in the Treatment of Waste Solutions (N. Getoff). Index.

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Book SynopsisThe octanol-water partition coefficient is a laboratory-measured property of a substance. It provides a thermodynamic measure of the tendency of the substance to prefer a non-aqueous or oily milieu rather than water (i.e. its hydrophilic/lipophilic balance). Partition coefficients are used extensively in medicinal chemistry, drug design, ecotoxicology and environmental chemistry. The partition coefficient is recognized by governmental and international agencies (U.S. Environmental Protection Agency, OECD) as a physical property of organic pollutants equal in importance to vapour pressure, water solubility and toxicity. Octanol-Water Partition Coefficients is a comprehensive and up-to-date survey of the thermodynamics of partitioning and of the octanol-water pair. In addition, all current methods of measurement are reviewed, strengths and weaknesses are noted and recommendations for particular applications are given. Current methods of calculation of partition coefficients are similarlyTable of ContentsThermodynamics and Extrathermodynamics of Partitioning. Experimental Methods of Measurement. Discussion of Measurement Methods. Methods of Calculating Partition Coefficients. Discussion on Log Kow Predictive Methods. Appendix. Index.

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