Providing specialist reviews and analyses of contemporary theories, algorithms, and techniques, this series aims to facilitate the effective exploitation of available computing power. The current volume focuses on the theoretical determination of atomic and molecular properties as related to wave functions, electron densities, and total energies.

Growth in the numbers of organic chemicals during recent decades has been extraordinary. Most are complex compounds that are released directly and/or indirectly to the surrounding environment. A view is emerging in relation to environmental protection and hazardous substance management that (1) some organic chemicals and/or organic leachates from solid waste materials and contaminated sediment/soil sites are of such extreme environmental concern that all use should be highly controlled including isolation for disposal; and (2) most hazardous substances are of sufficient social value that their continual use, production and disposal are justified. For these chemicals their types, sources, fate, behavior, effects and remediation at solid- aqueous phase interfaces must be fully assessed and understood. This assessment and understanding are essential for society to accept risks of adverse ecological or human health effects.

This book aims to provide an introduction to the major techniques of chemoinformatics. It is the first text written specifically for this field. The first part of the book deals with the representation of 2D and 3D molecular structures, the calculation of molecular descriptors and the construction of mathematical models. The second part describes other important topics including molecular similarity and diversity, the analysis of large data sets, virtual screening, and library design. Simple illustrative examples are used throughout to illustrate key concepts, supplemented with case studies from the literature.

Do you know your arsole from your electron? Whether tritium or trivium, this periodically puzzling collection of over 400 different quiz questions, word games and brain teasers will challenge the chemist in you. Drawing on an illustrated cornucopia of chemicals with subjects ranging from the sub-atomic to the astronomic, stories of scientists, their quirks, discoveries, and inventions will delight and inspire you. Journey through tales of how chemistry and other sciences have touched all our lives, from the food we eat to the air that we breathe, from the novels that we read to the movies that we watch. Elementary! is compiled by the Royal Society of Chemistry's puzzler Paul Board, with each chapter concentrating on a particular branch of science or facet of life. Explore scientists and superpowers, particles, places, plants, planets and poisons, and more. Get your thinking cap on!

This resource has been reviewed and updated to cover the revised CCEA AS Level Chemistry specification, for first teaching September 2016. Following the same content as the specification, the book is presented in full colour with over one hundred illustrations. The bright, clear layout will aid students' understanding of the course. Over 600 questions and worked examples are provided throughout to reinforce learning and aid preparation for the exam. The answers are supplied. A Practical Assessment section is included to address the AS 3 Basic Practical Chemistry unit. The text is also supported by a glossary of terms, broken down by chapter. The book has been through a thorough quality assurance check by an independent Chemistry expert. The author, Wingfield Glassey, is experienced in the subject and currently teaches A Level Chemistry at a Northern Ireland grammar school.

The development of chemistry, like that of the other fields of science and technology, has depended greatly upon the availability of instruments. Accordingly, the study of the history of instrumentation is a major area in any survey of the progress in this science. Recognizing this fact, the Division of the History of Chemistry of the American Chemical Society organized and held a very successful symposium on the history of chemical instrumentation during the Washington, D.C. National Meeting in 1979. Re arks, both formal and informal, made during this symposium stressed points that soon become obvious to anyone who looks at the ancestry of present-day instruments . In some cases, the total history is measured in years, rather than in centuries . Chemical instrumentation, by no means confined to the laboratory, is vital in industry. There is a natural tendency to discard an item of any kind when a newer version is acquired. Often, "to discard" means "to scrap." If the item scrapped is an instrument that is unique - sometimes the last of its kind - we have a permanent artefactual gap in the history of science.

This book brings together original work from a number of authors who have made significant contributions to the evolution and use of nonstandard computing methods in chemistry and pharmaceutical industry. The contributions to this book cover a wide range of applications of Soft Computing to the chemical domain. Soft Computing applications are able to approximate many different kinds of real-world systems; to tolerate imprecision, partial truth, and uncertainty; and to learn from their environment and generate solutions of low cost, high robustness, and tractability. Presented applications are the optimization of the structure of atom clusters, the design of safe textile materials, real-time monitoring of pollutants in the workplace, quantitative structure-activity relationships, the analysis of Mössbauer spectra, the synthesis of methanol or the use of bioinformatics in the clustering of data within large biochemical databases. With this diverse range of applications, the book appeals to professionals, researchers and developers of software tools for the design of Soft Computing-based systems in chemistry and pharmaceutical industry, and to many others within the computational intelligence community.

Discover the latest, fast-developing technology to help move towards more cost-effective, small-batch, decentralized manufacturing of personalized systems 3D printing has revolutionized manufacturing. Its precision and flexibility have enabled the large-scale production of materials and devices too complex for conventional industrial manufacturing. This has been particularly revolutionary in the field of pharmaceutical production, where 3D printing is being integrated into the manufacture of both drugs and drug delivery devices. It has never been more important for industry professionals to understand this form of production. 3D Printing of Pharmaceuticals and Drug Delivery Devices: Progress from Bench to Bedside offers a comprehensive overview of 3D printing technology and its pharmaceutical applications. It introduces readers to a world in which bespoke drug delivery systems developed for specific users or conditions is rapidly becoming a reality. Its detailed coverage of strategies and industrial processes incorporates the latest research and real-world experience of production. 3D Printing of Pharmaceuticals and Drug Delivery Devices: Progress from Bench to Bedside readers will also find: A multi-disciplinary authorial team of industry leaders Discussion of common technical and regulatory barriers and their possible solutions Far-ranging discussion of pharmaceutical applications across all sectors 3D Printing of Pharmaceuticals and Drug Delivery Devices: Progress from Bench to Bedside is essential reading for pharmaceutical industry professionals and researchers looking to occupy the leading edge.

The idea of an "Advanced Study Institute" on the theme of electrode reactions on solid electrolytes was put forward by Dr. J. Dupuy at the meeting of the International Society for Electrochemistry in Eindhoven in September 1973. Through Dr. Dupuy, the Solid State Physics Department of Lyons University offered the Institute possibilities of accommodation in Corsica that seemed particularly tempting. The subject matter appealed to a number of people for a variety of reasons. A great deal of development work on applications comes up against interface phenomena which appreciably reduce anticipated performances. Numerous potential applications of specific electrodes or gauges appear that would benefit from a more systematic approach. From a more fundamental viewpoint, interface phenomena on ionic crystals are the subject of indepen dent investigations in quite distinct research fields such as solid state physics and electrochemistry. The choice of an interpretation from among the different models available is very often not a straightforward matter, and an attempt to promote a synthesis by bringing together the proponents of the various "schools" could not fail to be rewarding."

Survey of Industrial Chemistry arose from a need for a basic text dealing with industrial chemistry for use in a one semester, three-credit senior level course taught at the University of Wisconsin-Eau Claire. This edition covers all important areas of the chemical industry, yet it is reasonable that it can be covered in 40 hours of lecture. Also an excellent resource and reference for persons working in the chemical and related industries, it has sections on all important technologies used by these industries: a one-step source to answer most questions on practical, applied chemistry. Young scientists and engineers just entering the workforce will find it especially useful as a readily available handbook to prepare them for a type of chemistry quite different than they have seen in their traditional coursework, whether graduate or undergraduate.

The ever-diversifying field of aerosol effects on climate is comprehensively presented here, describing the strong connection between fundamental research and model applications in a way that will allow both experienced researchers and those new to the field to gain an understanding of a wide range of topics. The material is consistently presented at three levels for each topic: (i) an accessible "quick read" of the essentials, (ii) a more detailed description, and (iii) a section dedicated to how the processes are handled in models. The modelling section in each chapter summarizes the current level of knowledge and what the gaps in this understanding mean for the effects of aerosols on climate, enabling readers to quickly understand how new research fits into established knowledge. Definitions, case studies, reference data, and examples are included throughout. Aerosols and Climate is a vital resource for graduate students, postdoctoral researchers, senior researchers, and lecturers in departments of atmospheric science, meteorology, engineering, and environment. It will also be of interest to those working in operational centers and policy-facing organizations, providing strong reference material on the current state of knowledge.

The manufacture and processing of textiles is a complex and essential industry requiring many diverse skills to ensure profitability. New products are continually being developed, and reflect the energy and innovation of those working in the field. This book focuses on the technological aspects of the chemical processing oftextiles, and on the modifications necessary for specific work environments. Coverage ranges from fibre structure and its relationship to tensile properties, textile aesthetics, comfort physiology, and end-use performance, through to the effect of domestic processing by the consumer on the textile product. The industry is constantly under environmental pressure, and the book examines the nature of environmental control and the development of alternative technology to produce less environmental impact. In order to provide a balanced view of the current situation, authors have been drawn from academia, research institutes and industry to produce a text that will be useful to both industrial readers and university students. In conclusion I would like to thank the authors for their dedication and their contributions.

It is only with the ending of the Cold War that the issue of environmental hazards at many former nuclear testing sites around the world has attracted international scientific interest. This book discusses the environmental, ecological, and health problems associated with nuclear testing. Topics treated include dose assessment, risk, speciation and transport of radionuclides, measurement and separation of radionuclides, and remedial options. The nuclear test sites examined include the Semipalatinsk Nuclear Test Site (Kazakhstan), the Nevada test Site (USA), the Pacific atolls, and the Maralinga Test Site (Australia). The volume also discusses the additional release sites of Chelyabinsk (Russia), Chernobyl (Ukraine), Palomares (Spain), Los Alamos (USA), and others. A valuable compendium of radiological problems for a wide spectrum of readers, from non-specialist to expert.

Industrial gases are inextricably woven into the fabric of modern manufacturing. From the primary extraction of raw materials, through their intermediate processing to manufacture metals, chemicals and ceramics, to the fabrication of sophisticated industrial, consumer and food products, gases are used across the whole spectrum of industry. The isolation, manufature and supply of these gases is a major industry in itself; the 300 million tones of gas used each year generates sales in excess of $20 billion. In terms of tonnage, nitrogen has become the most used industrial gas, finding applications across the whole range of industry. It is still manufactured by liquifying and then distilling air, but as applications develop and demand increases, newer methods of isolation, such as pressure swing absorbtion and membrane seperation will become important. This new book introduces the main industrial gases and the gases industry, it discusses the main technologies for their isolation, seperation, manufacture and handling. In addition, the book contains an overview of the main applications of industrial gases and a brief discussion of new production processes and applications. Chemists, chemical engineers, physicists and technologists involved in the research and development, production or utilisation of industrial gases will find this concise book an essential and accessable reference source. For advanced students of these disciplines, the book provides a fascinating overview of this important industry.

Annual Reports in Computational Chemistry is a new periodical providing timely and critical reviews of important topics in computational chemistry as applied to all chemical disciplines. Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Each volume is organized into (thematic) sections with contributions written by experts. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists. Annual Reports in Computational Chemistry is a 'must' for researchers and students wishing to stay up-to-date on current developments in computational chemistry.
* Broad coverage of computational chemistry and up-to-date information
* The topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings
* Each chapter reviews the most recent literature on a specific topic of interest to computational chemists