Books in Atomic and molecular structure

41-50 of 51 results in All results

The Language of Shape

• 1st Edition
• November 19, 1996
• S. Hyde + 6 more
• English
• Hardback 978-0-444-81538-5

  9 7 8 - 0 - 4 4 4 - 8 1 5 3 8 - 5
• eBook 978-0-08-054254-6

  9 7 8 - 0 - 0 8 - 0 5 4 2 5 4 - 6

This book develops the thesis that structure and function in a variety of condensed systems - from the atomic assemblies in inorganic frameworks and organic molecules, through molecular self-assemblies to proteins - can be unified when curvature and surface geometry are taken together with molecular shape and forces. An astonishing variety of synthetic and biological assemblies can be accurately modelled and understood in terms of hyperbolic surfaces, whose richness and beauty are only now being revealed by applied mathematicians, physicists, chemists and crystallographers. These surfaces, often close to periodic minimal surfaces, weave and twist through space, carving out interconnected labyrinths whose range of topologies and symmetries challenge the imaginative powers.The book offers an overview of these structures and structural transformations, convincingly demonstrating their ubiquity in covalent frameworks from zeolites used for cracking oil and pollution control to enzymes and structural proteins, thermotropic and lyotropic bicontinuous mesophases formed by surfactants, detergents and lipids, synthetic block copolymer and protein networks, as well as biological cell assemblies, from muscles to membranes in prokaryotic and eukaryotic cells. The relation between structure and function is analysed in terms of the previously neglected hidden variables of curvature and topology. Thus, the catalytic activity of zeolites and enzymes, the superior material properties of interpenetrating networks in microstructured polymer composites, the transport requirements in cells, the transmission of nerve signals and the folding of DNA can be more easily understood in the light of this.The text is liberally sprinkled with figures and colour plates, making it accessible to both the beginning graduate student and researchers in condensed matter physics and chemistry, mineralogists, crystallographers and biologists.

Recent Developments and Applications of Modern Density Functional Theory

• 1st Edition
• Volume 4
• November 1, 1996
• Jorge M. Seminario
• English
• Hardback 978-0-444-82404-2

  9 7 8 - 0 - 4 4 4 - 8 2 4 0 4 - 2
• eBook 978-0-08-054039-9

  9 7 8 - 0 - 0 8 - 0 5 4 0 3 9 - 9

The present status of Density Functional Theory (DFT), which has evolved as the main technique for the study of matter at the atomistic level, is described in this volume. Knowing the behavior of atoms and molecules provides a sure avenue for the design of new materials with specific features and properties in many areas of science and technology. A technique based on purely first principles allowing large savings in time and money greatly benefits the specialist or designer of new materials.The range of areas where DFT is applied has expanded and continues to do so. Any area where a molecular system is the center of attention can be studied using DFT.The scope of the 22 chapters in this book amply testifies to this.

Advances in Molecular Structure Research

• 1st Edition
• Volume 2
• March 20, 1996
• Magdolna Hargittai + 1 more
• English
• eBook 978-0-08-056075-5

  9 7 8 - 0 - 0 8 - 0 5 6 0 7 5 - 5

Optical Spectra and Lattice Dynamics of Molecular Crystals

• 1st Edition
• Volume 21
• October 17, 1995
• G.N. Zhizhin + 1 more
• English
• eBook 978-0-08-054478-6

  9 7 8 - 0 - 0 8 - 0 5 4 4 7 8 - 6

The current volume is a single topic volume on the optical spectra and lattice dynamics of molecular crystals. The book is divided into two parts. Part I covers both the theoretical and experimental investigations of organic crystals. Part II deals with the investigation of the structure, phase transitions and reorientational motion of molecules in organic crystals.In addition appendices are given which provide the parameters for the calculation of the lattice dynamics of molecular crystals, procedures for the calculation of frequency eigenvectors of utilizing computers, and the frequencies and eigenvectors of lattice modes for several organic crystals. Quite a large amount of Russian literature is cited, some of which has previously not been available to scientists in the West.

Advances in Molecular Structure Research

• 1st Edition
• Volume 1
• September 28, 1995
• Magdolna Hargittai + 1 more
• English
• eBook 978-0-08-055090-9

  9 7 8 - 0 - 0 8 - 0 5 5 0 9 0 - 9

Progress in molecular structure research reflects progress in chemistry in many ways. Much of it is thus blended inseparably with the rest of chemistry. It appears to be prudent, however, to review the frontiers of this field from time to time. This may help the structural chemist to delineate the main thrusts of advances in this area of research. What is even more important though, these efforts may assist the rest of the chemists to learn about new possibilities in structural studies, both methodological and interpretation. The aim is to make this a user-oriented series. Structural chemists of excellence will be critically evaluating a field or direction including their own achievements, and charting expected developments.

Preparation of Catalysts VI

• 1st Edition
• Volume 91
• March 24, 1995
• G. Poncelet + 4 more
• English
• eBook 978-0-08-054466-3

  9 7 8 - 0 - 0 8 - 0 5 4 4 6 6 - 3

The organizers of this Sixth Symposium maintained their initial objectives, namely to gather experts from both industries and universities to discuss the scientific problems involved in the preparation of heterogeneous catalysts, and to encourage as much as possible the presentation of research work on catalysts of real industrial significance. Another highlight of these symposia is to reserve a substantial part of the program to new developments in catalyst preparation, new preparation methods and new catalytic systems. The fact that chemical reactions which were hardly conceivable some years ago have become possible today through the development of appropriate catalytic systems proves that catalysis is in constant progress.The papers in this volume deal with preparation of new catalysts and supports, catalyst preparation via sol-gel methods, supported catalysts and synthesis of nanometer size catalysts.

Molecular Geometry

• 1st Edition
• February 8, 1995
• Alison Rodger + 1 more
• English
• eBook 978-1-4831-0603-8

  9 7 8 - 1 - 4 8 3 1 - 0 6 0 3 - 8

Molecular Geometry discusses topics relevant to the arrangement of atoms. The book is comprised of seven chapters that tackle several areas of molecular geometry. Chapter 1 reviews the definition and determination of molecular geometry, while Chapter 2 discusses the unified view of stereochemistry and stereochemical changes. Chapter 3 covers the geometry of molecules of second row atoms, and Chapter 4 deals with the main group elements beyond the second row. The book also talks about the complexes of transition metals and f-block elements, and then covers the organometallic compounds and transition metal clusters. The last chapter tackles the consequences of small, local variations in geometry. The text will be of great use to chemists who primarily deal with the properties of molecules and atoms.

Molecular Design

• 1st Edition
• Volume 75
• January 17, 1992
• A.L. Horvath
• English
• eBook 978-0-444-59673-4

  9 7 8 - 0 - 4 4 4 - 5 9 6 7 3 - 4

This book is a systematic presentation of the methods that have been developed for the interpretation of molecular modeling to the design of new chemicals. The main feature of the compilation is the co-ordination of the various scientific disciplines required for the generation of new compounds. The five chapters deal with such areas as structure and properties of organic compounds, relationships between structure and properties, and models for structure generation. The subject is covered in sufficient depth to provide readers with the necessary background to understand the modeling techniques. The book will be of value to chemists in industries involved in the manufacture of organic chemicals such as solvents refrigerants, blood substitutes, etc. It also serves as a reference work for researchers, academics, consultants, and students interested in molecular design.

New Trends in CO Activation

• 1st Edition
• Volume 64
• June 25, 1991
• L. Guczi
• English
• eBook 978-0-08-088715-9

  9 7 8 - 0 - 0 8 - 0 8 8 7 1 5 - 9

The aim of this volume is to provide scientists with a comprehensive summary of new research areas in the activation of carbon monoxide, as one of the most reactive molecules, and in its applications. In order to understand the variety of the reactivity of CO, a quantum-chemical approach helps the reader to understand the binding state of CO to the solid surface (Chapter 1). The structure of the adsorbed CO can be better understood by examining its reactivity towards single crystals in the absence and in the presence of promoters (Chapter 2). The first approach in the reactivity study is that of studying catalytic activity of single crystals and structure sensitivity which are summarized in Chapter 3. One of the most prominent effects in the CO activation process is ascribed to the presence of additives, promoters which, in a real catalyst system, are far more complicated than on single crystal surfaces (Chapter 4). The original Fischer-Tropsch process applied fused iron or cobalt catalysts which were suitable for producing mainly straight chain hydrocarbons. The two most important processes involving CO activation, the new FT process and alcohol formation are discussed in Chapters 5 and 7. An important type of catalyst, the bimetallic catalysts, is discussed in Chapter 6. The role of hydrogen as one of the most frequently used partners in CO activation is discussed in Chapter 8. The field of production of specialty chemicals is an excellent example of the homogeneous catalytic activation of CO (Chapter 9). In Chapter 10 an overview is given of the industrial applications of CO chemistry and these are illustrated by working processes. The final chapter gives the reader some hints about future progress in the field.

Synthesis of High-Silica Aluminosilicate Zeolites

• 1st Edition
• Volume 33
• May 1, 1987
• J.A. Martens + 1 more
• English
• eBook 978-0-08-096067-8

  9 7 8 - 0 - 0 8 - 0 9 6 0 6 7 - 8

This book provides an overview of all new high-silica zeolites which have been discovered between 1975 and 1985. The first part presents some 25 proven recipes for the preparation of high-silica zeolites and describes the characteristics of the materials obtained. This will allow bench-scale production of these materials for scientific research. In the second part, high-silica zeolites with solved structure type are discussed. This part classifies many proprietary materials according to known structure types, and describes the rules and parameters which govern the formation of these materials. In the third part, the formation and characteristics of high-silica zeolites with unknown structure type are discussed. The book contains a wealth of information for all those scientists who incorporate the use of high-silica zeolites in their work.