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The History and Heritage of Scientific and Technological Information Systems
Emphasis for the second conference on the history of information science systems was on scientific and technical information systems in the period from the Second World War up through the early 1990s. These proceedings present the papers of historians of science and technology, information scientists, and scientists in other fields on a wide range of topics: informatics in chemistry; biology and medicine; information developments in multinational, industrial, and military settings; biographical studies of pioneering individuals; and the transformation of information systems and formats in the twentieth century.
Molecular Similarity and Reactivity: From Quantum Chemical to Phenomenological Approaches
Similarities in chemical reactivity depend on molecular properties, and are ultimately dependent on the similarities of electronic structures. Fundamentally, quantum chemical similarities are manifested in similarities of molecular behaviour. This book covers both the quantum chemical origins and the methods of phenomenological descriptions of molecular similarity. The emphasis on reactivity is a unique feature. The exposition of computational methods and the prediction of reactivities, as well as the description of actual computer programs constitute important aspects of the book. Specific applications in drug design and techniques for the interpretation of the roles of functional groups in reactivity are of interest in molecular engineering. The selection of topics provides a detailed and balanced introduction to the field of similarity-based assessment of chemical reactivity. For researchers and graduate students in both fundamental chemistry and applied fields, such as biochemistry, pharmacology and drug design.
CNRS Research
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Chemical Heritage
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Molecules in Physics, Chemistry, and Biology
Volume 1: General Introduction to Molecular Sciences Volume 2: Physical Aspects of Molecular Systems Volume 3: Electronic Structure and Chemical Reactivity Volume 4: Molecular Phenomena in Biological Sciences
Computer-Aided Molecular Design
The computer-aided design of novel molecular systems has undoubtedly reached the stage of a mature discipline offering a broad range of tools available to virtually any chemist. However, there are few books coveringmost of these techniques in a single volume and using a language which may generally be understood by students or chemists with a limited knowledge of theoretical chemistry. The purpose of this book is precisely to review, in such a language, both methodological aspects and important applications of computer-aided molecular design (CAMD), with a special emphasis on drug design and protein modeling.Using numerous examples ranging from molecular models to shapes, surfaces, and volum...
Chemical Structures
This book constitutes the Proceedings of the conference 'Chemical Structures: The International Language of Chemistry' which was held at Leeuwenhorst Congress Centre, Noordwijkerhout in the Netherlands, between May 31 and June 4, 1987. The conference was jointly sponsored by the Chemical Structure Association, the American Chemical Society Division of Chemical Information, and the Chemical Information Groups of the Royal Society of Chemistry and the German Chemical Society. The purpose of the conference was to bring together experts and an international professional audience to discuss and to further basic and applied research and development in the processing, storage, retrieval and use of ...
Nanotechnology and Nanomaterials for Energy
The major topical and societal issues of energy transition and environmental conservation have benefited from the contribution of nanotechnologies and nanomaterials. Nanomaterials, including carbon-based newcomers, have helped to improve in particular the performance of energy storage and conversion devices. Some of these nanomaterials, including fullerenes, carbon nanotubes, nanodiamonds and carbon dots, were discovered well before the 2000s. Others are more recent, including graphene (the leading material of the 21st century) as well as many mineral materials developed at the nano scale: atomic clusters, metal or semiconductor nanoparticles, two-dimensional inorganic materials, metal-organic frameworks (MOF) and luminescent quantum dots. All of these are involved in the realization of devices for energy purposes. Nanotechnology and Nanomaterials for Energy provides a critical analysis of the latest work in the fields of batteries, photovoltaics, fuel cells and catalysis as well as lighting, with the advent of light-emitting diodes.
