Physical chemistry Books

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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a huge range and FREE tracked UK delivery on ALL orders.

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a huge range and FREE tracked UK delivery on ALL orders.

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a huge range and FREE tracked UK delivery on ALL orders.

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Book SynopsisThis text contains information on over 250 solvents. It answers key questions including; What hazards are connected with the use of a specific solvent? How can the molecular order of a solvent be described? Is water a unique solvent? Which solvent should be selected for my application?Table of ContentsSolvent Effects. Physical Properties of Solvents. Chemical Properties of Solvents. Applications. Index.

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Book SynopsisThe Viologens Physicochemical Properties, Synthesis and Applications of the Salts of 4,4''-Bipyridine Paul M. S. Monk Manchester Metropolitan University, UK Viologens are salts of 4,4''-bipyridine and are used in such fields as herbicides, electrochromism, solar energy conversion, molecular electronics and supramolecular chemistry. The Viologens is a comprehensive overview of the nature and physicochemical properties of the viologens and details the science behind the applications. Following a broad, discursive and self contained introduction to viologen chemistry, subsequent chapters develop the theory and present a detailed review of the most important properties and concepts in this field. A chapter on viologen synthesis is also included. This book is aimed at researchers in physical and organic chemistry, physics, materials science, biology and environmental engineering.Table of ContentsIntroduction and Overview. Synthesis of Viologens. Spectroscopic Properties of Viologen Species. The Structure of Bipyridilium Species. The Dication: Charge-transfer Equilibria. The Radical Cation: Dimer Formation. The Di-Reduced Bipyridilium Species: The Comproportionation Reaction. Adsorption of the Viologens. Electrochemistry and Electron-transfer Reactions. Photochemistry of the Viologens and Solar-energy Conversion. Electron Mediation, Herbicidal Activity and Toxicity. Electrochromism in Viologen-based Systems. Solid-state Conductivity and use of Viologens in Molecular Electronics. Supramolecular and Self Assembly Chemistry of the Viologens. Indexes.

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Book SynopsisStudents at all levels find considerable difficulty in applying their knowledge of organic chemistry to the solution of problems, often relying on memory alone. This book takes a unique approach to show that a general problem-solving strategy is applicable to many of the common reactions. Using a novel ''at-a-glance'' layout, the left-hand page provides a stepwise procedure for working through the reaction mechanisms, with helpful hints about the underlying chemistry, and the facing page contains a fully worked-through answer.Table of ContentsA Note from the author. Introduction. List of Abbreviations. 1. Nucleophilic Substitution and Elimination. 2. Alkene and Alkyne Chemistry. 3. Nucleophilic Additions to Carbonyl Groups. 4. Enolate Chemistry. 5. Aromatic Chemistry. 6. Rearrangements. Index

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Book SynopsisA comprehensive history of "happenstance plants" in American urban environments. Beginning in the late nineteenth century and continuing to the present, Falck examines the proliferation, perception, and treatment of weeds in metropolitan centers from Boston to Los Angeles.

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Book SynopsisDiscover the experimental and theoretical developments in optical single-molecule spectroscopy that are changing the ways we think about molecules and atoms The Advances in Chemical Physics series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. This latest volume explores the advent of optical single-molecule spectroscopy, and how atomic force microscopy has empowered novel experiments on individual biomolecules, opening up new frontiers in molecular and cell biology and leading to new theoretical approaches and insights. Organized into two partsone experimental, the other theoreticalthis volume explores advances across the field of single-molecule biophysics, presenting new perspectives on the theoretical properties of atoms and molecules. Single-molecule experiments have provided fresh perspectives on questions such as how proteins fold to specific conformations from highly heterogTable of ContentsPreface xiii Part One Developments on Single-Molecule Experiments Staring at a Protein: Ensemble and Single-Molecule Investigations on Protein-Folding Dynamics 3 By Satoshi Takahashi and Kiyoto Kamagata Single-Molecule FRET of Protein-Folding Dynamics 23 By Daniel Nettels and Benjamin Schuler Quantitative Analysis of Single-Molecule FRET Signals and its Application to Telomere DNA 49 By Kenji Okamoto and Masahide Terazima Force to Unbind Ligand–Receptor Complexes and the Internal Rigidity of Globular Proteins Probed by Single-Molecule Force Spectroscopy 71 By Atsushi Ikai, Rehana Afrin, and Hiroshi Sekiguchi Recent Advances in Single-Molecule Biophysics with the Use of Atomic Force Microscopy 89 By Masaru Kawakami and Yukinori Taniguchi Dynamical Single-Molecule Observations of Membrane Protein Using High-Energy Probes 133 By Yuji C. Sasaki Single-Molecular Gating Dynamics for the KcsA Potassium Channel 147 By Shigetoshi Oiki, Hirofumi Shimizu, Masayuki Iwamoto, and Takashi Konno Static and Dynamic Disorder in IN VITRO Reconstituted Receptor–Adaptor Interaction 195 By Hiroaki Takagi, Miki Morimatsu, and Yasushi Sako Part Two Developments on Single-Molecule Theories and Analyses Change-Point Localization and Wavelet Spectral Analysis of Single-Molecule Time Series 219 By Haw Yang Theory of Single-Molecule FRET Efficiency Histograms 245 By Irina V. Gopich and Attila Szabo Multidimensional Energy Landscapes in Single-Molecule Biophysics 299 By Akinori Baba and Tamiki Komatsuzaki Generalized Michaelis–Menten Equation for Conformation Modulated Monomeric Enzymes 329 By Jianlan Wu and Jianshu Cao Making it Possible: Constructing a Reliable Mechanism from a Finite Trajectory 367 By Ophir Flomenbom Free Energy Landscapes of Proteins: Insights from Mechanical Probes 395 By Zu Thur Yew, Peter D. Olmsted, and Emanuele Paci Mechanochemical Coupling Revealed by the Fluctuation Analysis of Different Biomolecular Motors 419 By Hiroaki Takagi and Masatoshi Nishikawa Author Index 437 Subject Index 467

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Book SynopsisThis book presents a compilation of self-contained chapters covering a wide range of topics within the broad field of soft condensed matter. Each chapter starts with basic definitions to bring the reader up-to-date on the topic at hand, describing how to use fluid flows to generate soft materials of high value either for applications or for basic research. Coverage includes topics related to colloidal suspensions and soft materials and how they differ in behavior, along with a roadmap for researchers on how to use soft materials to study relevant physics questions related to geometrical frustration.Table of ContentsPreface xv List of Contributors xvii SECTION I FLUID FLOWS 1 1 Drop Generation in Controlled Fluid Flows 3Elena Castro Hernandez, Josefa Guerrero, Alberto Fernandez-Nieves, & Jose M. Gordillo 1.1 Introduction, 3 1.2 Coflow, 4 1.2.1 Problem and Dimensionless Numbers, 4 1.2.2 Dripping and Jetting, 5 1.2.3 Narrowing Jets, 6 1.2.4 Unified Scaling of the Drop Size in Both Narrowing and Widening Regimes, 7 1.2.5 Convective Versus Absolute Instabilities, 9 1.3 Flow Focusing, 12 1.4 Summary and Outlook, 15 References, 15 2 Electric Field Effects 19Francisco J. Higuera 2.1 Introduction, 19 2.2 Mathematical Formulation and Estimates, 20 2.2.1 Conical Meniscus, 22 2.2.2 Cone-to-Jet Transition Region and Beyond, 23 2.2.3 Very Viscous Liquids, 24 2.3 Applications and Extensions, 24 2.3.1 Multiplexing, 24 2.3.2 Coaxial Jet Electrosprays, 25 2.3.3 Electrodispersion in Dielectric Liquid Baths, 26 2.4 Conclusions, 27 References, 27 3 Fluid Flows for Engineering Complex Materials 29Ignacio G. Loscertales 3.1 Introduction, 29 3.2 Single Fluid Micro- or Nanoparticles, 30 3.2.1 Flows Through Micron-Sized Apertures, 31 3.2.2 Microflows Driven by Hydrodynamic Focusing, 33 3.2.3 Micro- and Nanoflows Driven by Electric Forces, 34 3.3 Steady-state Complex Capillary Flows for Particles with Complex Structure, 36 3.3.1 Hydrodynamic Focusing, 36 3.3.2 Electrified Coaxial Jet, 38 3.4 Summary, 39 Acknowledgments, 41 References, 41 SECTION II COLLOIDS IN EXTERNAL FIELDS 43 4 Fluctuations in Particle Sedimentation 45P.N. Segrè 4.1 Introduction, 45 4.2 Mean Sedimentation Rate, 45 4.2.1 Brownian Sedimentation, 46 4.2.2 Non-Brownian Sedimentation, 47 4.3 Velocity Fluctuations, 48 4.3.1 Introduction, 48 Caflisch and Luke Divergence Paradox, 48 4.3.2 Thin Cells and Quasi Steady-State Sedimentation, 49 Hydrodynamic Diffusion, 51 4.3.3 Thick Cells, Time-Dependent Sedimentation, and Stratification, 52 Time-Dependent Sedimentation, 52 Stratification Scaling Model, 54 4.3.4 Stratification Model in a Fluidized Bed, 55 4.4 Summary, 56 References, 57 5 Particles in Electric Fields 59Todd M. Squires 5.1 Electrostatics in Electrolytes, 60 5.1.1 The Poisson–Boltzmann Equation, 61 5.1.2 Assumptions Underlying the Poisson–Boltzmann Equation, 62 5.1.3 Alternate Approach: The Electrochemical Potential, 63 5.1.4 Electrokinetics, 64 5.2 The Poisson–Nernst–Planck–Stokes Equations, 65 5.3 Electro-Osmotic Flows, 66 5.3.1 Alternate Approach: The Electrochemical Potential, 67 5.4 Electrophoresis, 68 5.4.1 Electrophoresis in the Thick Double-Layer Limit, 69 5.4.2 Electrophoresis in the Thin Double-Layer Limit, 69 5.4.3 Electrophoresis for Arbitrary Charge and Screening Length, 71 5.4.4 Concentration Polarization, 72 5.5 Nonlinear Electrokinetic Effects, 75 5.5.1 Induced-Charge Electrokinetics, 75 5.5.2 Dielectrophoresis, 76 5.5.3 Particle Interactions and Electrorheological Fluids, 77 5.6 Conclusions, 77 References, 78 6 Colloidal Dispersions in Shear Flow 81Minne P. Lettinga 6.1 Introduction, 81 6.2 Basic Concepts of Rheology, 82 6.2.1 Definition of Shear Flow, 82 6.2.2 Scaling the Shear Rate, 83 6.2.3 Flow Instabilities, 84 6.3 Effect of Shear Flow on Crystallization of Colloidal Spheres, 86 6.3.1 Equilibrium Phase Behavior, 87 6.3.2 Nonequilibrium Phase Behavior, 87 6.3.3 The Effect on Flow Behavior, 91 6.4 Effect of Shear Flow on Gas–Liquid Phase Separating Colloidal Spheres, 92 6.4.1 Equilibrium Phase Behavior, 92 6.4.2 Nonequilibrium Phase Behavior, 95 6.4.3 The Effect on Flow Behavior, 98 6.5 Effect of Shear Flow on the Isotropic–Nematic Phase Transition of Colloidal Rods, 99 6.5.1 Equilibrium Phase Behavior: Isotropic–Nematic Phase Transition from a Dynamical Viewpoint, 100 6.5.2 Nonequilibrium Phase Behavior of Sheared Rods: Theory, 102 6.5.3 Nonequilibrium Phase Behavior of Sheared Rods: Experiment, 104 6.5.4 The Effect of the Isotropic–Nematic Transition on the Flow Behavior, 107 6.6 Concluding Remarks, 108 References, 109 7 Colloidal Interactions with Optical Fields: Optical Tweezers 111David McGloin, Craig McDonald, & Yuri Belotti 7.1 Introduction, 111 7.2 Theory, 112 7.3 Experimental Systems, 114 7.3.1 Optical Tweezers, 114 7.3.2 Force Measuring Techniques, 116 7.3.3 Radiation Pressure Traps, 120 7.3.4 Beam Shaping Techniques, 121 7.4 Applications, 122 7.4.1 Colloidal Science, 122 7.4.2 Nanoparticles, 123 7.4.3 Colloidal Aerosols, 123 7.5 Conclusions, 125 References, 125 SECTION III EXPERIMENTAL TECHNIQUES 131 8 Scattering Techniques 133Luca Cipelletti, Véronique Trappe, & David J. Pine 8.1 Introduction, 133 8.2 Light and Other Scattering Techniques, 134 8.3 Static Light Scattering, 135 8.3.1 Static Structure Factor, 136 8.3.2 Form Factor, 137 8.4 Dynamic Light Scattering, 138 8.4.1 Conventional Dynamic Light Scattering, 138 8.4.2 Diffusing Wave Spectroscopy, 139 8.4.3 Dynamic Light Scattering from Nonergodic Media, 142 8.4.4 Multispeckle Methods, 143 8.4.5 Time-Resolved Correlation, 143 8.5 Imaging and Scattering, 145 8.5.1 Photon Correlation Imaging, 145 8.5.2 Near Field Scattering, 146 8.5.3 Differential Dynamic Microscopy, 147 References, 148 9 Rheology of Soft Materials 149Hans M. Wyss 9.1 Introduction, 149 9.2 Deformation and Flow: Basic Concepts, 150 9.2.1 Importance of Timescales, 150 9.3 Stress Relaxation Test: Time-Dependent Response, 151 9.3.1 The Linear Response Function G(t), 152 9.4 Oscillatory Rheology: Frequency-Dependent Response, 153 9.4.1 Storage Modulus G′ and Loss Modulus G′′, 153 9.4.2 Relation Between Frequency- and Time-Dependent Measurements, 154 9.5 Steady Shear Rheology, 154 9.6 Nonlinear Rheology, 155 9.6.1 Large Amplitude Oscillatory Shear (LAOS) Measurements, 155 9.6.2 Lissajous Curves and Geometrical Interpretation of LAOS Data, 155 9.6.3 Fourier Transform Rheology, 157 9.7 Examples of Typical Rheological Behavior for Different Soft Materials, 157 9.7.1 Soft Glassy Materials, 157 9.7.2 Gel Networks, 159 9.7.3 Biopolymer Networks: Strain-Stiffening Behavior, 160 9.8 Rheometers, 160 9.8.1 Rotational Rheometers, 160 9.8.2 Measuring Geometries, 160 9.8.3 Stress- and Strain-Controlled Rheometers, 161 9.9 Conclusions, 162 References, 162 10 Optical Microscopy of Soft Matter Systems 165Taewoo Lee, Bohdan Senyuk, Rahul P. Trivedi, & Ivan I. Smalyukh 10.1 Introduction, 165 10.2 Basics of Optical Microscopy, 166 10.3 Bright Field and Dark Field Microscopy, 167 10.4 Polarizing Microscopy, 169 10.5 Differential Interference Contrast and Phase Contrast Microscopies, 170 10.6 Fluorescence Microscopy, 171 10.7 Fluorescence Confocal Microscopy, 172 10.8 Fluorescence Confocal Polarizing Microscopy, 174 10.9 Nonlinear Optical Microscopy, 176 10.9.1 Multiphoton Excitation Fluorescence Microscopy, 176 10.9.2 Multiharmonic Generation Microscopy, 177 10.9.3 Coherent Anti-Stokes Raman Scattering Microscopy, 178 10.9.4 Coherent Anti-Stokes Raman Scattering Polarizing Microscopy, 179 10.9.5 Stimulated Raman Scattering Microscopy, 180 10.10 Three-Dimensional Localization Using Engineered Point Spread Functions, 181 10.11 Integrating Three-Dimensional Imaging Systems With Optical Tweezers, 182 10.12 Outlook and Perspectives, 183 References, 184 SECTION IV COLLOIDAL PHASES 187 11 Colloidal Fluids 189José Luis Arauz-Lara 11.1 Introduction, 189 11.2 Quasi-Two-Dimensional Colloidal Fluids, 190 11.3 Static Structure, 190 11.4 Model Pair Potential, 193 11.5 The Ornstein–Zernike Equation, 195 11.6 Static Structure Factor, 196 11.7 Self-Diffusion, 197 11.8 Dynamic Structure, 198 11.9 Conclusions, 200 Acknowledgments, 200 References, 200 12 Colloidal Crystallization 203Zhengdong Cheng 12.1 Crystallization and Close Packing, 203 12.1.1 van der Waals Equation of State and Hard Spheres as Model for Simple Fluids, 204 12.1.2 The Realization of Colloidal Hard Spheres, 205 12.2 Crystallization of Hard Spheres, 208 12.2.1 Phase Behavior, 208 12.2.2 Equation of State of Hard Spheres, 210 12.2.3 Crystal Structures, 215 12.2.4 Crystallization Kinetics, 218 12.3 Crystallization of Charged Spheres, 229 12.3.1 Phase Behavior, 229 12.3.2 Crystallization Kinetics, 235 12.4 Crystallization of Microgel Particles, 237 12.4.1 Phase Behavior, 238 12.4.2 Crystallization and Melting Kinetics, 238 12.5 Conclusions and New Directions, 241 Acknowledgments, 242 References, 242 13 The Glass Transition 249Johan Mattsson 13.1 Introduction, 249 13.2 Basics of Glass Formation, 250 13.2.1 Basics of Glass Formation in Molecular Systems, 250 13.2.2 Basics of Glass Formation in Colloidal Systems, 252 13.3 Structure of Molecular or Colloidal Glass-Forming Systems, 252 13.4 Dynamics of Glass-Forming Molecular Systems, 254 13.4.1 Relaxation Dynamics as Manifested in the Time Domain, 254 13.4.2 Relaxation Dynamics as Manifested in the Frequency Domain, 256 13.4.3 The Structural Relaxation Time, 258 13.4.4 The Stretching of the Structural Relaxation, 259 13.4.5 The Dynamic Crossover, 259 13.5 Dynamics of Glass-Forming Colloidal Systems, 262 13.5.1 General Behavior, 262 13.5.2 The Structural Relaxation, 263 13.5.3 The Dynamic Crossover, 264 13.5.4 “Fragility” in Colloidal Systems, 265 13.5.5 Glassy “Secondary” Relaxations, 266 13.6 Further Comparisons Between Molecular and Colloidal Glass Formation, 267 13.6.1 Dynamic Heterogeneity, 267 13.6.2 Decoupling of Translational and Rotational Diffusion, 269 13.6.3 The Vibrational Properties and the Boson Peak, 270 13.7 Theoretical Approaches to Understand Glass Formation, 271 13.7.1 Above the Dynamic Crossover: Mode Coupling Theory, 271 13.7.2 Below the Dynamic Crossover: Activated Dynamics, 273 13.8 Conclusions, 275 References, 276 14 Colloidal Gelation 279Emanuela Del Gado, Davide Fiocco, Giuseppe Foffi, Suliana Manley, Veronique Trappe, & Alessio Zaccone 14.1 Introduction: What Is a Gel? 279 14.1.1 An Experimental Summary: How Is a Gel Made? 280 14.2 Colloid Interactions: Two Important Cases, 280 14.2.1 “Strong” Interactions: van der Waals Forces, 280 14.2.2 “Weak” Interactions: Depletion Interactions, 282 14.2.3 Putting It All Together, 285 14.3 Routes to Gelation, 285 14.3.1 Dynamic Scaling, 285 14.3.2 Fractal Aggregation, 287 14.4 Elasticity of Colloidal Gels, 288 14.4.1 Elasticity of Fractal Gels, 288 14.4.2 Deformations and Connectivity, 289 14.5 Conclusions, 290 References, 290 SECTION V OTHER SOFT MATERIALS 293 15 Emulsions 295Sudeep K. Dutta, Elizabeth Knowlton, & Daniel L. Blair 15.1 Introduction, 295 15.1.1 Background, 295 15.2 Processing and Purification, 296 15.2.1 Creation and Stability, 296 15.2.2 Destabilization and Aggregation, 298 15.2.3 Coarsening, 298 15.2.4 Purification: Creaming and Depletion, 299 15.3 Emulsion Science, 300 15.3.1 Microfluidics: Emulsions on a Chip, 300 15.3.2 Dense Emulsions and Jamming, 300 15.3.3 The Jammed State, 301 15.3.4 The Flowing State, 304 15.4 Conclusions, 305 References, 305 16 An Introduction to the Physics of Liquid Crystals 307Jan P. F. Lagerwall 16.1 Overview of This Chapter, 307 16.2 Liquid Crystal Classes and Phases, 308 16.2.1 The Foundations: Long-Range Order, the Nematic Phase, and the Director Concept, 308 16.2.2 Thermotropics and Lyotropics: The Two Liquid Crystal Classes, 308 16.2.3 The Smectic and Lamellar Phases, 311 16.2.4 The Columnar Phases, 313 16.2.5 Chiral Liquid Crystal Phases, 314 16.2.6 Liquid Crystal Polymorphism, 316 16.3 The Anisotropic Physical Properties of Liquid Crystals, 317 16.3.1 The Orientational Order Parameter, 317 16.3.2 Optical Anisotropy, 318 16.3.3 Dielectric, Conductive, and Magnetic Anisotropy and the Response to Electric and Magnetic Fields, 321 16.3.4 The Viscous Properties of Liquid Crystals, 323 16.4 Deformations and Singularities in The Director Field, 325 16.4.1 Liquid Crystal Elasticity, 325 16.4.2 The Characteristic Topological Defects of Liquid Crystals, 327 16.5 The Special Physical Properties of Chiral Liquid Crystals, 330 16.5.1 Optical Activity and Selective Reflection, 330 16.6 Some Examples From Present-Day Liquid Crystal Research, 332 16.6.1 Colloid Particles in Liquid Crystals and Liquid Crystalline Colloid Particles, 333 16.6.2 Biodetection with Liquid Crystals, 333 16.6.3 Templating and Nano-/Microstructuring Using Liquid Crystals, 334 16.6.4 Liquid Crystals for Photovoltaic and Electromechanical Energy Conversion, 334 16.6.5 Lipidomics and the Liquid Crystal Phases of Cell Membranes, 336 16.6.6 Active Nematics, 336 References, 336 17 Entangled Granular Media 341Nick Gravish & Daniel I. Goldman 17.1 Granular Materials, 342 17.1.1 Dry, Convex Particles, 342 17.1.2 Cohesion through Fluids, 343 17.1.3 Cohesion through Shape, 343 17.1.4 Characterize the Rheology of Granular Materials, 344 17.2 Experiment, 345 17.2.1 Experimental Apparatus, 345 17.2.2 Packing Experiments, 346 17.2.3 Collapse Experiments, 346 17.3 Simulation, 348 17.3.1 Random Contact Model of Rods, 348 17.3.2 Packing Simulations, 350 17.4 Conclusions, 352 Acknowledgments, 352 References, 352 18 Foams 355Reinhard Ḧohler & Sylvie Cohen-Addad 18.1 Introduction, 355 18.2 Equilibrium Structures, 356 18.2.1 Equilibrium Conditions, 356 18.2.2 Geometrical and Topological Properties, 358 18.2.3 Static Bubble Interactions, 358 18.3 Aging, 359 18.3.1 Drainage, 359 18.3.2 Coarsening, 360 18.3.3 Coalescence, 361 18.4 Rheology, 361 18.4.1 Elastic Response, 361 18.4.2 Linear Viscoelasticity, 362 18.4.3 Yielding and Plastic Flow, 363 18.4.4 Viscous Flow, 364 18.4.5 Rheology near the Jamming Transition, 365 References, 366 SECTION VI ORDERED MATERIALS IN CURVED SPACES 369 19 Crystals and Liquid Crystals Confined to Curved Geometries 371Vinzenz Koning, & Vincenzo Vitelli 19.1 Introduction, 371 19.2 Crystalline Solids and Liquid Crystals, 373 19.3 Differential Geometry of Surfaces, 373 19.3.1 Preliminaries, 373 19.3.2 Curvature, 374 19.3.3 Monge Gauge, 375 19.4 Elasticity on Curved Surfaces and in Confined Geometries, 375 19.4.1 Elasticity of a Two-Dimensional Nematic Liquid Crystal, 375 19.4.2 Elasticity of a Two-Dimensional Solid, 376 19.4.3 Elasticity of a Three-dimensional Nematic Liquid Crystal, 377 19.5 Topological Defects, 377 19.5.1 Disclinations in a Nematic, 377 19.5.2 Disclinations in a Crystal, 378 19.5.3 Dislocations, 378 19.6 Interaction Between Curvature and Defects, 379 19.6.1 Coupling in Liquid Crystals, 379 19.6.2 Coupling in Crystals, 379 19.6.3 Screening by Dislocations and Pleats, 381 19.6.4 Geometrical Potentials and Forces, 381 19.7 Nematics in Spherical Geometries, 381 19.7.1 Nematic Order on the Sphere, 381 19.7.2 Beyond Two Dimensions: Spherical Nematic Shells, 382 19.8 Toroidal Nematics, 383 19.9 Concluding Remarks, 383 References, 383 20 Nematics on Curved Surfaces – Computer Simulations of Nematic Shells 387Martin Bates 20.1 Introduction, 387 20.2 Theory, 388 20.3 Experiments on Spherical Shells, 389 20.3.1 Nematics, 389 20.3.2 Smectics, 391 20.4 Computer Simulations – Practicalities, 392 20.4.1 Introduction, 392 20.4.2 Monte Carlo Simulations, 393 20.5 Computer Simulations of Nematic Shells, 395 20.5.1 Spherical Shells, 395 20.5.2 Nonspherical Shells, 397 20.6 Conclusions, 399 References, 401 Index 403

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Book SynopsisThis encyclopedia offers a comprehensive and easy reference to physical organic chemistry (POC) methodology and techniques. Topics covered include not only traditional POC like reaction kinetics and mechanisms, but also subjects in many other related fields where the principles of POC have been widely implemented.Trade Review"This encyclopedia will provide advanced chemistry researchers with a thorough foundation from which to build a literature review"C. M. Dalzell, Quinnipiac University CHOICE Sept 17Table of ContentsVolume 1 List of Contributors xiii Preface xxv Part 1 Basic Terms and Theories 1 1 Symmetry, Pseudosymmetry, Spectroscopy, and Molecular Structure 3 Robert Glaser 2 Stereoelectronic Effects on Structure and Reactivity of Organic Molecules: Origins and Consequences 67 Igor V. Alabugin and Brian Gold 3 Steric Strain in Molecular Organics 161 Lei Yang, Linghai Xie, Ying Wei, Yuyu Liu, Murali Devi and Wei Huang 4 Strong Chemical Bonds 217 Rafael Notario 5 Noncovalent Interactions: Calculations, Classification, and Benchmark Data Sets 245 Jan Rˇezácˇ and Pavel Hobza 6 Quantum Mechanics and Molecular Orbital Theory: From Basic Principles to Quantum Chemistry 277 Patrizia Calaminici, Andreas M. Köster and Karl Jug 7 Basic Elements of Chemical and Statistical Thermodynamics 315 Boris Solomonovand Timur Mukhametzyanov 8 Practical Chemical Kinetics in Solution 369 Omar A. El Seoud, Wilhelm J. Baader and Erick L. Bastos 9 Fundamental Aspects of Quantitative Structure–Reactivity Relationships 437 Frank H. Quina and Erick L. Bastos 10 General Aspects of Redox Chemistry 491 Felipe J. González, Carlos Frontana, Martín Gómez and Ignacio González 11 Aromaticity 511 Miquel Solă 12 Molecule–Medium Relationships 543 Plamen Kirilov 13 Vapor Pressure and Boiling Point 579 Rogdakis Emmanouil and Koronaki P. Irene 14 Log P 629 Supriyo Saha and Dilipkumar Pal 15 Physical Properties: Surface Tension and Capillarity 651 Rossen Sedev 16 Solubility and Miscibility for Diluted Polymers and Their Extension to Organic Semiconductors 697 Jose Dario Perea Ospina, Stefan Langner Tayebeh Ameri and Christoph J. Brabec Volume 2 List of Contributors xiii Preface xxv Part 2 Organic Reactions and Mechanisms 735 17 Organic Solid-State Reactions 737 Gerd Kaupp 18 Pericyclic Reactions 817 Dean J. Tantillo 19 Radical Reactions 849 Rana K. Mohamed, Igor V. Alabugin and Philip M. Byers 20 Photoreactions 943 Michael Oelgemöller and Norbert Hoffmann 21 Reactions Under Ultrasound 1009 Hélio A. Stefani and Rodrigo Cella 22 Reactions in the Magnetic Field 1035 Masanobu Wakasa, Tomoaki Yago, Atom Hamasaki and Masao Gohdo 23 Oscillating Reactions 1127 Ljiljana Kolar-Anić, Slobodan Anić, Željko Ćupic´, Ana Ivanovic´-Šašić, Nataša Pejić, Slavica Blagojević and Vladana Vukojević 24 Small Organic Molecule-Catalyzed Reactions 1223 Bor-Cherng Hong 25 Intramolecular Catalysis of Organic Reactions 1299 C.-Y. Ho and L. Xiang 26 Green Chemistry: Challenges and Opportunities 1365 W. Roy Jackson, Eva M. Campi and Milton T. W. Hearn 27 Reactions in Ionic Liquids 1411 Sinead T. Keaveney, Ronald S. Haines and Jason B. Harper Volume 3 List of Contributors xiii Preface xxv Part 2 Organic Reactions and Mechanisms (Continued) 1465 28 Reactions in Fluorous Solvents 1467 Hiroshi Matsubara Part 3 Molecular Designs and Syntheses 1527 29 Molecular Interaction and Recognition 1529 Kevin Daze and Fraser Hof 30 Molecular Modeling 1581 Damien Thompson 31 Function-Oriented Molecular Design: Crown Ether 1625 Tetsuo Okada 32 Function-Oriented Molecular Design: Cryptand 1699 Mari Ikeda, Shunsuke Kuwahara and Yoichi Habata 33 Cyclodextrin-Based Functional Materials and Surfaces 1793 Mohamed El Idrissi, Negar Moridi and Patrick Shahgaldian 34 Function-Oriented Molecular Design: Calix[n]Arenes 1825 Hu Shu-Zhen, Han Ying and Chen Chuan-Feng 35 Function-Oriented Molecular Design: Fullerenes and Related Carbon Materials 1857 Fa-Bao Li and Guan-Wu Wang 36 Function-Oriented Molecular Design: Dendrimer 1933 Jitendra Satija and Soumyo Mukherji 37 Molecular Functionalization of Interfaces between Different Phases from the Standpoint of Functional Interface Engineering 1989 Tetsuya Haruyama 38 Function-Oriented Molecular Design: Nucleic Acids 2009 Lorenzo Di Bari and Maria Minunni 39 Multivariate QSAR 2041 Márcia M. C. Ferreira 40 Design of Organic Magnetic Materials 2079 Jin Y. Lee, Kyoung C. Ko and Daeheum Cho 41 Design of Conducting and Superconducting Organic Molecules 2133 Jun-ichi Yamada and Hiroyuki Nishikawa Volume 4 List of Contributors xiii Preface xxv Part 3 Molecular Designs and Syntheses (Continued) 2189 42 Physical and Chemical Principles in Molecular Electronics 2191 Adam Johan Bergren and Gino DiLabio 43 Self-Assembly in Molecular Design 2233 Miu S. Chan, Man S. Wong and Pik K. Lo 44 Deciphering a Synthetic Strategy–the Art and Beauty of Organic Synthesis 2273 Jakub Pie˛Ta, Piotr Drelich, Artur Przydacz, Anna Albrecht and Łukasz Albrecht 45 Asymmetric Synthesis in Medicinal Chemistry 2331 Smritilekha Bera and Dhananjoy Mondal 46 Strained Organic Molecules 2481 Tien-Yau Luh, Man-Kit Leung, Yao-Ting Wu and Liangbing Gan 47 Supramolecular Chemistry: Synthesis and Photophysical Characteristics of Conjugated Polyrotaxanes 2543 Aurica Farcas and Ana-Maria Resmerita 48 Electrochemical Studies of Conjugated Polyrotaxanes and their Unthreaded Analogs 2583 Aurica Farcas and Pierre-Henri Aubert 49 Advances in Photocatalysis Over Highly Dispersed Ti Oxides in Sio2 Mesoporous Materials 2619 Mingyang Xing, Xiao Li, Jinlong Zhang and Masakazu Anpo Part 4 Tools and Experimental Techniques 2669 50 Semiempirical and Molecular Mechanics Treatment of Noncovalent Interactions 2671 Nusret Duygu Yilmazer and Martin Korth 51 Electron Densities: Population Analysis and Beyond 2705 Renato Contreras, Luis R. Domingo and Bernard Silvi 52 NMR Spectroscopy 2819 Xingyu Lu and Guangjin Hou 53 Methods of Magnetic Resonance in Studying Natural Biomaterials 2861 Victor Rodin Volume 5 List of Contributors xiii Preface xxv Part 4 Tools and Experimental Techniques (Continued) 2909 54 Electron Paramagnetic Resonance Spectroscopy 2911 Sabrina Weickert and Malte Drescher 55 Electrical Discharges 2957 Mário Janda, Zdenko Machala, Ravindra P. Joshi, Lev Krasnoperov and Selma Mededovic Thagard 56 Fluorescence Spectroscopy: From Classical Aspects to Current Trends 3011 Mihaela Homocianu 57 Laser Flash Photolysis 3059 Xian-Fu Zhang 58 Light-Induced Excited Spin State Trapping 3083 Ivan Šalitroš and Ján Pavlik 59 Electron Energy Loss Spectroscopy 3181 Diana F. Garcia-Gutierrez, Lina M. De Leon-Covian and Domingo I. Garcia-Gutierrez 60 Energy-Dispersive X-ray Spectroscopy: Theory and Application in Engineering and Science 3217 Joseph Hamuyuni, Michael O. Daramola and Olugbenga O. Oluwasina 61 X-ray Photoelectron Spectroscopy 3241 Joanna S. Stevens and Sven L. M. Schroeder 62 Other Scanning Probe Microscopies 3295 Yuanmin Du, Swee Liang Wong, Yuli Huang, Johnny Ping Kwan Wong and Andrew Thye Shen Wee 63 Cyclic Voltammetry 3437 Lida Khalafi and Mohammad Rafiee Part 5 Applications and Future Directions 3479 64 Semiconducting Organic Molecules 3481 Maria Vasilopoulou 65 Organic Field-Effect Transistors 3565 Martin Weis 66 Organic Molecules for Application of Engineering Thermodynamics: Refrigeration and Organic Rankine Cycle 3605 Xinxin Zhang Volume 6 List of Contributors xiii Preface xxv Part 5 Applications and Future Directions (Continued) 3651 67 Conversion of Biomass to Biofuels 3653 Aleksei Bredihhin and Lauri Vares 68 Nanocatalysis 3697 Haichao Liu, Jing Guan, Xindong Mu, Guoqiang Xu, Xicheng Wang and Xiufang Chen 69 Sustainable Catalysis 3773 Harminder Singh and Jaspreet Kaur Rajput 70 Artificial Photosynthesis 3813 Lei Liu and Jin-Gang Liu 71 Artificial Enzymes: The Next Wave 3885 Hanjun Cheng, Xiaoyu Wang and Hui Wei 72 Glycobiology 3949 Gherman Y. Wiederschain 73 DNA-Interacting Molecules and Cancer Treatments 3993 Gunjan Tyagi, Parul Mehrotra, Shweta Agarwal and Ranjana Mehrotra 74 Porous Organic Materials from Self-Assembly of Peptides and Polyamides 4089 Debasish Haldar 75 Precision Synthesis of Polysaccharides and their Supramolecular and Nanostructured Materials by Enzymatic Reactions 4137 Jun-ichi Kadokawa Index 4181

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