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Datatype-Generic Programming
This tutorial book presents six carefully revised lectures given at the Spring School on Datatype-Generic Programming, SSDGP 2006. This was held in Nottingham, UK, in April 2006. It was colocated with the Symposium on Trends in Functional Programming (TFP 2006), and the Conference of the Types Project (TYPES 2006). All the lectures have been subjected to thorough internal review by the editors and contributors, supported by independent external reviews.
Pauling's Legacy
Theory and experiment in chemistry today provide a wealth of data, but such data have no meaning unless they are correctly interpreted by sound and transparent physical models. Linus Pauling was a grandmaster in the modelling of molecular properties. Indeed, many of his models have served chemistry for decades and that has been his lasting legacy for chemists all over the world. The aim of this book is to put such simple models into the language of modern quantum chemistry, thus providing a deeper justification for many of Pauling's ideas and concepts. However, it should be stressed that many contributions to this work, written by some of the world's most prominent theoretical chemists, do not merely follow Pauling's footprints. By taking his example, they made bold leaps forward to overcome the limitations of the old models, thereby opening new scientific vistas. This book is an important contribution to the chemical literature. It is an almost obligatory textbook for postgraduate students and postdoctoral researchers in physical chemistry, chemical physics and advanced physical organic chemistry.
Construction Safety Management, A Systems Approach
The few models on safety management that are available tend to explain a procedure to manage safety rather than a safety management system. The research carried out here, however, models safety management by transforming a common procedural model (i.e. the HSE's model, 1997) into a functional systems representation. The overall goal of the model is to offer clear graphic lines of influence of its different components on organisational safety. The model is innovative not in the components that it considers but in the representation of those components, which details relative distances between elements and, therefore, opens doors to model-driven hypotheses which account for those distances. Therefore, hypotheses are more accurate in their predictions. This model is firstly explored in the construction sector. Results from this exploratory research support the adequacy of the model to understanding safety management and encourage future research of a more confirmatory nature.
Progress in Physical Organic Chemistry
Progress in Physical Organic Chemistry is dedicated to reviewing the latest investigations into organic chemistry that use quantitative and mathematical methods. These reviews help readers understand the importance of individual discoveries and what they mean to the field as a whole. Moreover, the authors, leading experts in their fields, offer unique and thought-provoking perspectives on the current state of the science and its future directions. With so many new findings published in a broad range of journals, Progress in Physical Organic Chemistry fills the need for a central resource that presents, analyzes, and contextualizes the major advances in the field. The articles published in Pr...
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Modern Electronic Structure Theory
Modern Electronic Structure Theory provides a didactically oriented description of the latest computational techniques in electronic structure theory and their impact in several areas of chemistry. The book is aimed at first year graduate students or college seniors considering graduate study in computational chemistry, or researchers who wish to acquire a wider knowledge of this field.
Advanced Theories and Computational Approaches to the Electronic Structure of Molecules
That there have been remarkable advances in the field of molecular electronic structure during the last decade is clear not only to those working in the field but also to anyone else who has used quantum chemical results to guide their own investiga tions. The progress in calculating the electronic structures of molecules has occurred through the truly ingenious theoretical and methodological developments that have made computationally tractable the underlying physics of electron distributions around a collection of nuclei. At the same time there has been consider able benefit from the great advances in computer technology. The growing sophistication, declining costs and increasing accessibi...
Theoretical Chemistry
Specialist Periodical Reports provide systematic and detailed review coverage of progress in the major areas of chemical research. Written by experts in their specialist fields the series creates a unique service for the active research chemist, supplying regular critical in-depth accounts of progress in particular areas of chemistry. For over 90 years The Royal Society of Chemistry and its predecessor, the Chemical Society, have been publishing reports charting developments in chemistry, which originally took the form of Annual Reports. However, by 1967 the whole spectrum of chemistry could no longer be contained within one volume and the series Specialist Periodical Reports was born. The A...
Reviews Of Modern Quantum Chemistry: A Celebration Of The Contributions Of Robert G Parr (In 2 Vols)
This important book collects together state-of-the-art reviews of diverse topics covering almost all the major areas of modern quantum chemistry. The current focus in the discipline of chemistry — synthesis, structure, reactivity and dynamics — is mainly on control. A variety of essential computational tools at the disposal of chemists have emerged from recent studies in quantum chemistry. The acceptance and application of these tools in the interfacial disciplines of the life and physical sciences continue to grow. The new era of modern quantum chemistry throws up promising potentialities for further research.Reviews of Modern Quantum Chemistry is a joint endeavor, in which renowned sci...
Construction Management
The construction industry faces continual challenges and demands, due to market conditions and coercion by governments, for improvements in safety, quality and cost control, and in the avoidance of contractual disputes. To meet these challenges construction enterprises need to constantly seek new directions and business models in construction management. A number of tools, methods and concepts have been developed and advocated as aids to achieving improved performance, but many in the industry find them confusing or are sceptical of their relevance. The third edition of Construction Management: New Directionsbrings together, in a single volume, detailed discussion of a range of contemporary ...
