"Introduction to Theoretical Organic Chemistry" provides an introduction for chemists with a limited mathematical background, yet need a working understanding of quantum chemistry as applied to problems in organic chemistry. This book is unique in that it is written at the level of the advanced undergraduate or beginning graduate student in organic chemistry, whose exposure to theoretical chemistry is relatively recent. It fills a niche in that most books on theoretical organic chemistry are written by theoretical or computational chemists, whereas this book is written by an organic chemist.
The book covers molecular modeling computer software, and offers a useful guide to the scope and limitations of each program, along with specific examples of input and output for several of the most popular software. Numerous examples and exercises are provided.

Practical Dispersion A Guide to Understanding and Formulating Slurries Robert F. Conley This book is a practical guide to producing slurries more efficiently, intelligently, and economically. It provides hands--on knowledge of sufficient technical depth to allow those personnel involved in on--going dispersion practices to feel more proficient in making system modifications, as well as to meet the specific mechanical, chemical, environmental, and other requirements of their customers. To this end, a broad description of dispersants, their functions, and field applications has been provided. Dispersant activities are defined on the basis of solid and agent structures and affinities. This book is intended for technical personnel in the many industries involved with slurry processing either in materials production or application, and whose day--to--day activities lie in manufacturing such dispersed products as paints; pigment premixes; treated metallic, inorganic, and organic powders; food products; cosmetics; pharmaceuticals; and dyes and inks.

Discusses the laboratory and industrial synthesis of nonionic surfactants. Furnishes exhaustive coverage of the most recent advances in nonionic surfactant organic chemistry. Analyzes a novel class of catalysts for the production of surfactants with highly narrow distributions.

This book cover advances in the study of processes of nonlinear propagation of continuous and pulsed laser radiation in a continuous and micro structured optical media. It details distributed fiber-optical measuring systems, the physical basis of ultra-low laser cooling of atoms, and studies of optical and nonlinear optical properties of nanostructured heterogeneous systems.

Photochromic glasses are among the most widespread types of glasses, due largely to their popular use in sunglasses. These glasses are used not only in sunglasses, but also in various opto-electronic devices that have been developed and produced throughout the world. Until now, information about photochromic glasses has been widely dispersed in the literature, much of which was published in Russian and therefore of limited accessibility to the Western world. Physics and Chemistry of Photochromic Glasses brings together the combined knowledge and understanding of photochromic glasses from these publications. Coverage includes the structure, optical properties, coloration and bleaching mechanisms, technology, and metrology of these interesting materials.

An indispensable guide for all synthetic chemists who want to learn about the most relevant reactions and reagents employed to synthesize important heterocycles and drugs! The synthesis of natural products, bioactive compounds, pharmaceuticals, and drugs is of fundamental interest in modern organic chemistry. New reagents and reaction methods towards these molecules are being constantly developed. By understanding the mechanisms involved and scope and limitations of each reaction applied, organic chemists can further improve existing reaction protocols and develop novel efficient synthetic routes towards frequently used drugs, such as Aspirin or Penicillin. Applied Organic Chemistry provides a summary of important (name) reactions and reagents applied in modern organic chemistry and drug synthesis. It covers rearrangement, condensation, olefination, metathesis, aromatic electrophilic substitutions, Pd-catalyzed C-C bond forming reactions, multi-component reactions, as well as oxidations and reductions. Each chapter is clearly structured, providing valuable information on reaction details, step-by-step mechanism, experimental procedures, applications, and (patent) references. By providing mechanistic information and representative experimental procedures, this book is an indispensable guide for researchers and professionals in organic chemistry, natural product synthesis, pharmaceutical, and medicinal chemistry, as well as post-graduates preparing themselves for a job in the pharmaceutical industry. Hot Topic: Reviews important classes of organic reactions (incl. name reactions) and reagents in medicinal chemistry. Useful: Provides information on reaction details, common reagents, and functional group transformations used to synthesize natural products, bioactive compounds, drugs, and pharmaceuticals, e.g. Aspirin, Penicillin. Unique: For every reaction the mechanism is explained step by step, and representative experimental procedures are given, unlike most books in this area. User-friendly: Chapters are clearly structured making it easy for the reader to compare different reactions. Applied Organic Chemistry is an indispensable guide for researchers and professionals in organic chemistry, natural product synthesis, pharmaceutical, and medicinal chemistry, as well as post-graduates preparing themselves for a job in the pharmaceutical industry.

The 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.

Volume 5 Reviews in Computational Chemistry Kenny B. Lipkowitz and Donald B. Boyd A Valuable Resource for Novices and Practitioners Alike, This Series Features Detailed Treatments of the Latest Advances in Computational Methods for Organic, Pharmaceutical, Physical, and Biological Chemistry. Balancing Academic and Industrial Interests, Volume 5 Presents Tutorials on Post-Hartree-Fock Methods, Electron Population Analysis, Brownian Dynamics, Lipid Simulations, Distance Geometry in Molecular Modeling, and Computer-Aided Drug Design. A History Traces the Field's Growth and Relationship to Funding Agencies. An Enlarged Compendium of Software Serves As a Valuable Buyer's guide. -From Reviews of the Series Many of the Articles are Indeed Accessible to any Interested Nonspecialist, Even Without Theoretical Background. Journal of the American Chemical Society This Book Serves Beginners as Well as Experts Looking for New Perspectives in the Field and is Highly Recommended. Journal of Molecular Graphics

Exam Board: AQA Level & Subject: AS Chemistry First teaching: September 2015 Next exams: June 2023 Checked by AQA examiners, this is an essential study and revision guide for the 2015 AQA AS and A-level Year 1 Chemistry specification concentrating on inorganic chemistry and relevant physical chemistry Paper 1. Tackle new-style written exam questions with guidance on practical and mathematical skills Avoid common mistakes and get advice on exams with Exam Notes Focus on just the content you need with Essential Notes Memorise terminology for required practicals and mathematical and Working Scientifically aspects Practise exam-style questions

The dissolution behaviour of metal oxides has applications in many scientific fields, each with its own jargon and methodological approach. Any scientist interested in this subject should understand the literature from these various areas. This book describe different specialized treatments to surface-controlled metal oxide dissolution reactions and translates them into a unified picture based on surface complexion

"Second Edition provides a thorough, up-to-date treatment of the fundamental behavior of surface active agents in solutions, their interaction with biological structures from proteins and membranes to the stratum corneum and epidermis, and their performance in formulations such as shampoos, dentifrice, aerosols, and skin cleansers."

Annual Reports on NMR Spectroscopy, Volume 100, is a premier resource for both specialists and non-specialists who are looking to become familiar with new techniques and applications in NMR spectroscopy. Chapters in this new release cover In Operando NMR Studies, Recent Developments in Automotive Differential Analysis of NMR Results, Applications of SIMPSON to NMR Studies of Peptides and Proteins, Recent Developments in NMR Line Shape Analysis, and more.

Because water is one of the most important life-supporting media on the planet, the quality of aquatic ecosystems is of great interest to the entire world population. One of the factors that greatly affects water quality is the condition of the underlying sediment layer. The Manual of Physico-Chemical Analysis of Aquatic Sediments addresses the best methods for quantitative determination of chemical forms of different elements and compounds, bioassessment techniques, and determination of physical properties of sediments. Essential information for surveying, research, and monitoring of sediment contamination is covered. This manual will aid sediment biologists, geochemists, limnologists, regulatory program managers, environmental chemists and toxicologists and environmental consultants in preparing plans for proper remedial action.

Many scientists and engineers do not realize that, under certain conditions, friction can lead to the formation of new structures at the interface, including in situ tribofilms and various patterns. In turn, these structures-usually formed by destabilization of the stationary sliding regime-can lead to the reduction of friction and wear. Friction-Induced Vibrations and Self-Organization: Mechanics and Non-Equilibrium Thermodynamics of Sliding Contact combines the mechanical and thermodynamic methods in tribology, thus extending the field of mechanical friction-induced vibrations to non-mechanical instabilities and self-organization processes at the frictional interface. The book also relates friction-induced self-organization to novel biomimetic materials, such as self-lubricating, self-cleaning, and self-healing materials. Explore Friction from a Different Angle-as a Fundamental Force of Nature The book begins with an exploration of friction as a fundamental force of nature throughout the history of science. It then introduces general concepts related to vibrations, instabilities, and self-organization in the bulk of materials and at the interface. After presenting the principles of non-equilibrium thermodynamics as they apply to the interface, the book formulates the laws of friction and highlights important implications. The authors also analyze wear and lubrication. They then turn their attention to various types of friction-induced vibration, and practical situations and applications where these vibrations are important. The final chapters consider various types of friction-induced self-organization and how these effects can be used for novel self-lubricating, self-cleaning, and self-healing materials. From Frictional Instabilities to Friction-Induced Self-Organization Drawing on the authors' original research, this book presents a new, twenty-first century perspective on friction and tribology. It shows how friction-induced instabilities and vibrations can lead to self-organized structures, and how understanding the structure-property relationships that lead to self-organization is key to designing "smart" biomimetic materials.

Since Pasteur in 1846, scientists have been aware that many drugs are photoreactive, but until recently research in this area had been somewhat limited. However, since the introduction of acutely sensitive analytical methods, the realisation of the need to identify the photochemical properties of a potential drug as early in its development as possible and the increased attention to the phototoxic effect of drugs, more details are becoming available. Drugs: Photochemistry and Photostability presents the basic elements of the science, and serves as an excellent introduction to this emerging field of photochemistry. Detailed experimental conditions for photostability studies are given, along with a discussion of the recently implemented ICH Guidelines for drug photostability. With contributions from international experts in the field and including a comprehensive literature review, this book provides all the up-to-date information needed by researchers in many fields, especially medicinal and pharmaceutical chemistry.

Over the last decade, increased attention to reaction dynamics, combined with the intensive application of computers in chemical studies, mathematical modeling of chemical processes, and mechanistic studies has brought graph theory to the forefront of research. It offers an advanced and powerful formalism for the description of chemical reactions and their intrinsic reaction mechanisms. Chemical Reaction Networks: A Graph-Theoretical Approach elegantly reviews and expands upon graph theory as applied to mechanistic theory, chemical kinetics, and catalysis. The authors explore various graph-theoretical approaches to canonical representation, numbering, and coding of elementary steps and chemical reaction mechanisms, the analysis of their topological structure, the complexity estimation, and classification of reaction mechanisms. They discuss topologically distinctive features of multiroute catalytic and noncatalytic and chain reactions involving metal complexes. With it's careful balance of clear language and mathematical rigor, the presentation of the authors' significant original work, and emphasis on practical applications and examples, Chemical Reaction Networks: A Graph Theoretical Approach is both an outstanding reference and valuable tool for chemical research.

Sulfur compounds contaminate many industrially important feedstocks and, on release to the atmosphere as sulfur oxides, can cause widespread damage to the ecosystem. The main objectives of The Sulfur Problem: Cleaning Up Industrial Feedstocks are to demonstrate the importance of eliminating sulfur contaminants from the environment and the measures necessary to effect this. Using a systematic and pedagogical approach, the reader is first presented with the problem. Current technology for solving it is then outlined together with appropriate theory on the synthesis, structure and sorption behaviour of the materials used. Relevant characterisation techniques are described with reference to typical sorbents, to demonstrate how the sorption behaviour of the materials correlates with their properties. The book is unique in blending together aspects of environmental chemistry, materials/solid state chemistry, surface chemistry, catalysis and separation processes to address the problem of sulfur contaminants in a wide range of feedstocks.

Update your knowledge of the chemical, biological, and physical properties of liquid-liquid interfaces with Liquid-Liquid Interfaces: Theory and Methods. This valuable reference presents a broadly based account of current research in liquid-liquid interfaces and is ideal for researchers, teachers, and students. Internationally recognized investigators of electrochemical, biological, and photochemical effects in interfacial phenomena share their own research results and extensively review the results of others working in their area. Because of its unusually wide breadth, this book has something for everyone interested in liquid-liquid interfaces. Topics include interfacial and phase transfer catalysis, electrochemistry and colloidal chemistry, ion and electron transport processes, molecular dynamics, electroanalysis, liquid membranes, emulsions, pharmacology, and artificial photosynthesis. Enlightening discussions explore biotechnological applications, such as drug delivery, separation and purification of nuclear waste, catalysis, mineral extraction processes, and the manufacturing of biosensors and ion-selective electrodes. Liquid-Liquid Interfaces: Theory and Methods is a well-written, informative, one-stop resource that will save you time and energy in your search for the latest information on liquid-liquid interfaces.

Graph-Theoretical Matrices in Chemistry presents a systematic survey of graph-theoretical matrices and highlights their potential uses. This comprehensive volume is an updated, extended version of a former bestseller featuring a series of mathematical chemistry monographs. In this edition, nearly 200 graph-theoretical matrices are included. This second edition is organized like the previous one-after an introduction, graph-theoretical matrices are presented in five chapters: The Adjacency Matrix and Related Matrices, Incidence Matrices, The Distance Matrix and Related Matrices, Special Matrices, and Graphical Matrices. Each of these chapters is followed by a list of references. Among the matrices presented several are novel and some are known only to a few. The properties and potential usefulness of many of the presented graph-theoretical matrices in chemistry have yet to be investigated. Most of the graph-theoretical matrices presented have been used as sources of molecular descriptors usually referred to as topological indices. They are particularly concerned with a special class of graphs that represents chemical structures involving molecules. Due to its multidisciplinary scope, this book will appeal to a broad audience ranging from chemistry and mathematics to pharmacology.

Aquatic and Surface Photochemistry provides a broad overview of current research in the emerging field of environmental aquatic and surface photochemistry. Selected reviews and current research articles are blended to provide an in-depth treatment of various aspects of this research area. The first part of the text deals with photochemistry in the environment, covering recent research on the following topics: aquatic photochemistry of organic pollutants and agrochemicals, photochemical cycling of carbon and transition metals (especially iron), photochemical formation of reactive oxygen species in natural waters, photoreaction in cloud and rain droplets, and photoreactions on environmental surfaces (soil, ash, metal, oxide). The second part provides discussions and data on both heterogeneous photocatalytic and homogeneous processes, with topics ranging from applications to mechanistic studies. These chapters illustrate the wide diversity of pollutant classes that are degradable by photochemical techniques and the effects of various reaction conditions on the rates and efficiency of the techniques. Current kinetic studies are presented, which provide new information about the role of adsorption and the nature of the reactive oxidizing species that mediate these photoremediation processes.This book will interest civil, chemical, and environmental engineers, as well as chemists, soil scientists, geochemists, and atmospheric chemists.

In his thesis Fluorescence in Bio-inspired Nanotechnology, Jonas Hannestad describes the evolving field of DNA nanotechnology in a lucid and easily accessible way. A central theme in the thesis is how biological structures and mechanisms constitute a basis for the design of novel technologies. Hannestad discusses how self-assembled, nanometer-scale DNA constructs can be functionalized using fluorescent labeling. In particular, he highlights how applications are based on fluorescence resonance energy transfer (FRET). Another important contribution is the development of a lipid monolayer platform for the step-by-step assembly of DNA nanoconstructs. The work in the thesis is based on five peer-reviewed papers published in high-profile journals, all of which involve major contributions from the author.

Designed for scientists and engineers involved in the physical chemistry of antioxidants, the Handbook of Antioxidants contains comprehensive data on the thermodynamics and reactivity of antioxidants. It includes: bond dissociation energies of antioxidants such as phenols (O-H bonds), aromatic amines (N-H bonds), hydroxyl amines (O-H bonds), thiophenols (S-H bonds) o activation energies and rate constants of reactions of peroxyl radicals with antioxidants o rate constants of reactions of phenoxyl, aminyl, and nitroxyl radicals with RH, ROOH, phenols, thiophenols, amines and hydroxyl amines and rate constants of reactions of antioxidants with hydroperoxides and oxygen.

The common perception is that nanoscience is something entirely new, that it sprung forth whole and fully formed like some mythological deity. But the truth is that like all things scientific, nanoscience is the natural result of the long evolution of scientific inquiry. Following a historical trail back to the middle of the 19th century, nanoscience is the inborn property of colloid and interface science. What's important today is for us to recognize that nanoparticles are small colloidal objects. It should also be appreciated that over the past decades, a number of novel nanostructures have been developed, but whatever we call them, we cannot forget that their properties and behavior are still in the realm of colloid and interface science. However one views it, the interest and funding in nano-science is a tremendous opportunity to advance critical research in colloid chemistry. Nanoscience: Colloidal and Interfacial Aspects brings together a prominent roster of 42 leading investigators and their teams, who detail the wide range of theoretical and experimental knowledge that can be successfully applied for investigating nanosystems, many of which are actually well-known colloidal systems. This international grouping of pioneering investigators from academia and industry use these pages to provide researchers of today and tomorrow with a full examination of nano-disperse colloids, homogeneous and heterogeneous nano-structured materials (and their properties), and shelf-organization at the nano-scale. This cutting-edge reference provides information on investigations into non-linear electrokinetic phenomena in nano-sized dispersions and nano-sized biological systems. It discusses application aspects of technological processes in great detail, providing scientists and engineers across all fields with authoritative commentary on colloid and interface science operating at the nanoscale. Nano-Science: Colloidal and Interfacial Aspects provides an authoritative resource for those wanting to familiarize themselves with current progress as well as for those looking to make their own impact on the development of new technologies and practical applications in fields as diverse as medicine, materials, and environmental science to name but a few. Whether you call the technology nano or colloids, the field continues to be ripe with opportunity.

The Ion Exchange and Solvent Extraction series treats ion exchange and solvent extraction both as discrete topics and as a unified, multidisciplinary study - presenting new insights for researchers in many chemical and related fields.;Volume 12 contains coverage of: the nature of metal-ion interaction with oppositely charged sites of ion exchangers; high-pressure ion exchange separation of rare earth elements; the commercial recovery of valuable minerals from seawater and brines by ion exchange and sorption; the kinetics of ion exchange in heterogenous systems; the ion-exchange equilibria of amino acids; and more.;The work is intended for analytical, co-ordination, process, separation, surface, organic, inorganic, physical and environmental chemists, geochemists, electrochemists, radiochemists, biochemists, biophysicists, hydrometallurgists, membrane researchers and chemical engineers.

This is the first book to provide comprehensive treatment of the use of the symmetric group in quantum chemical structures of atoms, molecules, and solids. It begins with the conventional Slater determinant approach and proceeds to the basics of the symmetric group and the construction of spin eigenfunctions. The heart of the book is in the chapter dealing with spin-free quantum chemistry showing the great interpretation value of this method. The last three chapters include the unitary group approach, the symmetric group approach, and the spin-coupled valence bond method. An extensive bibliography concludes the book.