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Author: Judith A K Howard
Publisher: Springer Science & Business Media
ISBN: 9401146535
Category : Science
Languages : en
Pages : 363
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Book Description
Recent years have seen a dramatic increase in the use of crystal structure information and computational techniques in the design and development of a very wide range of novel materials. These activities now encompass a broad chemical spectrum, reflected in the contributions published here, which cover: modern crystallographic techniques, databases and knowledge bases of experimental results, computational techniques and their interplay with experimental information, hydrogen bonding and other intermolecular interactions, supramolecular assembly and crystal structure prediction, and practical examples of materials design. Each author is a recognised expert and the volume contains state-of-the-art results set in the context of essential background material and augmented by extensive bibliographies. The volume provides a coherent introduction to a rapidly developing field and will be of value to both specialists and non-specialists at the doctoral and post-doctoral levels.
Author: Judith A K Howard
Publisher: Springer Science & Business Media
ISBN: 9401146535
Category : Science
Languages : en
Pages : 363
Get Book Here
Book Description
Recent years have seen a dramatic increase in the use of crystal structure information and computational techniques in the design and development of a very wide range of novel materials. These activities now encompass a broad chemical spectrum, reflected in the contributions published here, which cover: modern crystallographic techniques, databases and knowledge bases of experimental results, computational techniques and their interplay with experimental information, hydrogen bonding and other intermolecular interactions, supramolecular assembly and crystal structure prediction, and practical examples of materials design. Each author is a recognised expert and the volume contains state-of-the-art results set in the context of essential background material and augmented by extensive bibliographies. The volume provides a coherent introduction to a rapidly developing field and will be of value to both specialists and non-specialists at the doctoral and post-doctoral levels.
Author: National Research Council
Publisher: National Academies Press
ISBN: 0309168392
Category : Science
Languages : en
Pages : 238
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Book Description
Chemistry and chemical engineering have changed significantly in the last decade. They have broadened their scopeâ€"into biology, nanotechnology, materials science, computation, and advanced methods of process systems engineering and controlâ€"so much that the programs in most chemistry and chemical engineering departments now barely resemble the classical notion of chemistry. Beyond the Molecular Frontier brings together research, discovery, and invention across the entire spectrum of the chemical sciencesâ€"from fundamental, molecular-level chemistry to large-scale chemical processing technology. This reflects the way the field has evolved, the synergy at universities between research and education in chemistry and chemical engineering, and the way chemists and chemical engineers work together in industry. The astonishing developments in science and engineering during the 20th century have made it possible to dream of new goals that might previously have been considered unthinkable. This book identifies the key opportunities and challenges for the chemical sciences, from basic research to societal needs and from terrorism defense to environmental protection, and it looks at the ways in which chemists and chemical engineers can work together to contribute to an improved future.
Author: Jan H. Noordik
Publisher: IOS Press
ISBN: 9781586034504
Category : Science
Languages : en
Pages : 236
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Book Description
The developments in information technology in the last decades of the 20th century have fundamentally changed the way in which scientific information is being communicated and used. A scientific discipline where the impact of these changes has been particularly significant is (bio)chemistry. Up to less than 25 years ago, molecular modeling was a hardly-existent computational chemistry niche, only practiced at those few institutes that could afford the very expensive specialised hardware. Also rapid access to not only the primary literature but, possibly even more importantly, to the factual primary data about millions of chemical compounds, to reactions, structures, and spectra, and to the genomic data of various organisms including humans, can only be provided by digital storage and retrieval techniques. This book seeks to document some key developments in computerized chemical information in the last two decades of the past century. To put the developments into a historic perspective, the three opening chapters present review articles on the founding, the history, and the operation of three different representative European computer chemistry institutes.These introductory chapters are personal accounts of history and development and clearly show the different approaches and aims in setting up these (academic) research and/or service facilities for computer-aided chemistry and cheminformatics. The following chapters form a bridge to recent cheminformatics research by covering selected topics in the fields of organic synthesis, drug design, crystallography, modeling and chemistry teaching.
Author: Chick C. Wilson
Publisher: World Scientific
ISBN: 9789810237769
Category : Science
Languages : en
Pages : 390
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Book Description
This important book presents a comprehensive account of the techniques & applications of single crystal neutron diffraction in the area of chemical crystallography & molecular structure. Beginning with a brief description of the general principles & the reasons for choosing the technique - the "why" - the book covers the methods for both the production of neutrons & the measurement of their scattering by molecular crystals - the "how" - followed by a detailed survey of past, present & future applications - the "what". The coverage of both steady state & pulsed neutron sources & instrumentation is extensive, while the survey of applications is the most comprehensive yet undertaken. The book endeavours to show why the technique is an essential method for studying areas as diverse as hydrogen bonding & weak interactions, organometallics, supramolecular chemistry & crystal engineering, metal hydrides, charge density & pharmaceuticals. It is an ideal reference source for the research worker interested in using neutron diffraction to study the structure of molecules. Contents: Crystallography & the Importance of Structural Information; Neutron Scattering; Neutron Diffractometers; Review of Applications I: The Accurate Location of Atoms; Review of Applications II: Hydrogen Bonding & Other Intermolecular Interactions; Review of Applications III: Probing Vibrations & Disorder; Impact on Material Properties & Design; The Future: New Instruments, New Sources, New Techniques. Readership: Students & researchers involved in structural science, especially chemical crystallography.
Author: Joel Bernstein
Publisher: OUP Oxford
ISBN: 0191545015
Category : Science
Languages : en
Pages : 430
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Book Description
Polymorphism - the multiplicity of structures or forms - is a term that is used in many disciplines. In chemistry it refers to the existence of more than one crystal structure for a particular chemical substance. The properties of a substance are determined by its composition and by its structure. In the last two decades, there has been a sharp rise in the interest in polymorphic systems, as an intrinsically interesting phenomenon and as an increasingly important component in the development and marketing of a variety of materials based on organic molecules (e.g. pharmaceuticals, dyes and pigments, explosives, etc.). This book summarizes and brings up to date the current knowledge and understanding of polymorphism of molecular crystals, and concentrates it in one comprehensive source. The book will be an invaluable reference for students, researchers, and professionals in the field.
Author: Peter Comba
Publisher: John Wiley & Sons
ISBN: 3527628134
Category : Science
Languages : en
Pages : 344
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Book Description
After the second edition introduced first density functional theory aspects, this third edition expands on this topic and offers unique practice in molecular mechanics calculations and DFT. In addition, the tutorial with its interactive exercises has been completely revised and uses the very latest software, a full version of which is enclosed on CD, allowing readers to carry out their own initial experiments with forcefield calculations in organometal and complex chemistry.
Author: Helena Dodziuk
Publisher: Springer Science & Business Media
ISBN: 0306475871
Category : Science
Languages : en
Pages : 356
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Book Description
A new rapidly progressing field on the crossroads among chemistry, biochemistry, physics and technology - supramolecular chemistry - has just emerged. You have to be involved, to know what's going on in this domain and to take part in the development. This book will show you in a condensed form exciting phenomena unthinkable within the realm of classical organic chemistry (for example, alkali metal anions or cyclobutadiene stable for month at room temperature) that not only provide the basis for revolutionizing numerous branches of industry but also improve our understanding of the functioning of living organisms and of the origin of life. Designing supramolecular systems with desired properties will among others make chemical industry cleaner and more safe, electronics smaller by developing devices composed of single molecule or molecular aggregate. It will also entirely change the way we use energy resources. In addition, it will also transform the pharmaceutical industry and medicine by developing new ways of drugs administration and new composite biocompatible materials which will serve as implants of new generation changing dentistry, surgery, and other branches of medicine. You cannot afford to stand apart. With its brief but comprehensive and vivid presentation including the latest development, Introduction to Supramolecular Chemistry is the best method to get into this domain. This book provides an excellent summary of information scattered across the literature. The brief but comprehensive coverage of the whole field including practically all important group of compounds forming aggregates (in particular crown ethers, cavitands, fullerenes, cyclodextrins and their complexes) provisioning full references for the discussed subjects make this book of value not only for Ph.D. students and non-specialists in this domain but also for those working in the field. The book has been found to be a particularly useful resource for students and more generally for those wanting to get the up-to-date concise account of this exciting field.
Author: Jerry L. Atwood
Publisher: CRC Press
ISBN: 1482258161
Category : Science
Languages : en
Pages : 1745
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Book Description
The two-volume Encyclopedia of Supramolecular Chemistry offers authoritative, centralized information on a rapidly expanding interdisciplinary field. User-friendly and high-quality articles parse the latest supramolecular advancements and methods in the areas of chemistry, biochemistry, biology, environmental and materials science and engineering, physics, computer science, and applied mathematics. Designed for specialists and students alike, the set covers the fundamentals of supramolecular chemistry and sets the standard for relevant future research.
Author: Jonathan W. Steed
Publisher: John Wiley & Sons
ISBN: 1119582490
Category : Science
Languages : en
Pages : 1220
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Book Description
A one-stop, comprehensive, and thoroughly updated resource for students, professors, and researchers alike Thoroughly revised and updated, the Third Edition of Supramolecular Chemistry delivers a comprehensive and integrated approach to this rapidly evolving and quickly expanding field. Distinguished professors and authors Jonathan Steed and Jerry Atwood provide readers with a broad and exhaustive resource that assumes little in the way of prior knowledge of supramolecular chemistry. Extensive new content on cutting edge research throughout the field including molecular machines and the mechanical bond, mechanochemistry, halogen bonding, and crystal nucleation accompanies full-color imagery and study problems designed to help students understand and apply the principles introduced within the book. Additional material is provided in the supplementary online resources, including solutions to the student exercises and PowerPoint slides of the figures in the book. Supramolecular Chemistry, Third Edition also includes: The latest research and developments reported over the last decade A unique “key references” system that highlights crucial reviews and primary literature A description of key experimental techniques included in accessible “boxes” for the non-expert Exercises and problems for students, complete with online solutions Full-color illustrations and imagery designed to facilitate learning and retention of the key concepts and state-of-the art of the field Perfect for undergraduate and postgraduate students taking courses on supramolecular chemistry, the Third Edition of Supramolecular Chemistry also belongs on the bookshelves of all researchers in this, and any closely related, fields. Academics, in particular postdoctoral students and professors, will benefit significantly from this text.
Author: Juan J Novoa
Publisher: Royal Society of Chemistry
ISBN: 1788013336
Category : Science
Languages : en
Pages : 782
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Book Description
The field of crystal engineering concerns the design and synthesis of molecular crystals with desired properties. This requires an in-depth understanding of the intermolecular interactions within crystal structures. This new book brings together the latest information and theories about intermolecular bonding, providing an introductory text for graduates. The book is divided into three parts. The first part covers the nature, physical meaning and methods for identification and analysis of intermolecular bonds. The second part explains the different types of bond known to occur in molecular crystals, with each chapter written by a specialist in that specific bond type. The final part discusses the cooperativity effects of different bond types present in one solid. This comprehensive textbook will provide a valuable resource for all students and researchers in the field of crystallography, materials science and supramolecular chemistry.
