The field of microporous solids in solid state chemistry has seen a huge expansion over the last decades with new developments in a diverse range of directions and applications. Drawing upon nature as an inspiration, scientists are continually extending known families and preparing porous solids with novel structures. In turn, the novel properties that these possess stimulate further research and applications. Microporous Framework Solids describes fundamental principles and experimental practices of the synthetic chemistry and physical characterisation of crystalline microporous solids. It also provides a clear and up to date discussion of different types of microporous materials, their applications and emerging areas of current interest, written from a personal research perspective. Topics include the different types of solids and their properties with key emphasis placed on the relationship between properties and structure. Structural methods are also discussed including the role of diffraction, NMR and computational studies. Finally, applications for catalysis are reviewed. This book is ideal for new researchers in the field of microporous solids both in academia and industry who require a detailed and informative overview of the subject. It provides a comprehensive review of microporous materials in an easily accessible style offering a valuable source of references over a wide range of topics.

A detailed and timely overview of recent developments in active quasi-optical arrays

In recent years, active quasi-optics has emerged as one of the most dynamic fields of contemporary research—a highly unconventional approach to microwave and millimeter-wave power generation that integrates solid-state devices into a single quasi-optical component in which all devices operate in unison. This book defines and describes active quasi-optical arrays, reviews the current state of the art, and answers numerous basic and technical questions on the design, analysis, and application of these devices.

The contributors to this volume are leading researchers in the field who present results and views from government, industrial, and university laboratories and offer a balanced discussion on a high technical level. They also offer insight into the applicability and commercial value of this technology for military systems, manufacturing processes, communications, and consumer products. Topics presented include:

• Analysis and design methodologies for quasi-optical active arrays
• Power-added and power-combining efficiencies of quasi-optical amplifier arrays
• Phase-shifterless beam steering in oscillator and amplifier arrays
• Integrating quasi-optical active components into a compact subsystem
• Design and fabrication of quasi-optical oscillators, amplifiers, multipliers, and tuners
• Characterization and measurement of quasi-optical components

As inorganic materials are put to more and more practical uses--mainly in electric, magnetic, and optical devices--materials scientists must have an increasingly sophisticated understanding of the chemical and physical properties of inorganic compounds. This volume--the first of its kind in twenty years--provides a unified presentation of the chemistry of non-stoichiometric compounds based on statistical thermodynamics and structural inorganic chemistry. Four modern examples of non-stoichiometric compounds--ionic conducting compounds, hydrogen absorbing alloys, magnetic materials, and electrical materials--are discussed in detail. Students and researchers in structural inorganic chemistry, crystallography, materials science, and solid state physics will find this much-needed book both practical and informative.

This extensive reference/text explores the principles, instrumentation, processes, and programs of pharmaceutical solid science as well as new aspects on one-component systems, micromeritics, polymorphism, solid-state stability, cohesion, powder flow, blending, single- unit sustained release, and tablet coating.
Reveals unique approaches in pharmaceutical solid science not previously published in any other text
Providing current data on crystallization, dissolution from particles and polydisperse populations, powder volumes and densities, comminution, wet granulation, and hard-shell capsules, Advanced Pharmaceutical Solids
describes moisture isotherms with crystalline solids
documents the effects of moisture on solid-state stability
highlights tablet physics and principles
explains sustained release by microencapsulation
presents prediction equations for solubility in binary solvents
discusses particle sizes and diameters
identifies Brunauer, Emmett, and Teller Isotherms
and more
Considering properties of solids, permeamitry and gas absorption methods, amorphates, and purification by pH-change precipitation, Advanced Pharmaceutical Solids is an essential reference for pharmacists; pharmaceutical scientists; medicinal, physical, surface, colloid, and analytical chemists and biochemists; and an effective text for upper-level undergraduate and graduate students in these disciplines.

Solid Phase Microextraction (SPME) has been introduced as a modern alternative to current sample preparation technology, and has a wide range of applications. Focusing on quantitative aspects of analysis, Applications of Solid Phase Microextraction aims to describe these applications.

In industry, practical uses of SPME can be found in environmental, food, pharmaceutical, clinical and forensic applications, all of which are described in this book. Important scientific applications such as reaction monitoring, characterization of coatings and distributions of analytes in natural multiphase systems are also discussed. Throughout there are descriptions of new technologies, including new coatings and interfaces for analytical instrumentation (SPME/LC and SPME/CE), automation and calibration processes.

Written by internationally recognised experts, edited by the scientist involved in the research since its infancy, and encompassing a wide range of applications, this book will be ideal for anyone wishing to explore the feasibility of using SPME technology.

This volume focuses on the wealth of existing literature on physical metallurgy, and deals with materials in different states of order and the process of order evolution. It is a valuable reference by students and researchers in the field of materials science and metallurgy.

This book gives a thorough treatment of the rapidly-expanding field of coherent x-ray optics, which has recently experienced something of a renaissance with the availability of third-generation synchrotron sources. It is the first book of its kind. The author begins with a treatment of the fundamentals of x-ray diffraction for both coherent and partially coherent radiation, together with the interactions of x-rays with matter. X-ray sources, optics elements and detectors are then discussed, with an emphasis on their role in coherent x-ray optics. Various facets of coherent x-ray imaging are then discussed, including holography, interferometry, self-imaging, phase contrast and phase retrieval. Lastly, the foundations of the new field of singular x-ray optics are examined. Most topics are developed from first principles, with numerous references given to the contemporary research literature. This book will be useful to x-ray physicists and students, together with optical physicists and engineers who wish to learn more about the fascinating subject of coherent x-ray optics.

Reporting on advances in the field of molecular solid state chemistry, each volume focuses on selected areas and highlights methods and results in syntheses, properties and applications. The volumes in this series provide a forum for the discussion of chemical, physical, biological and crystallographic aspects of the molecular solid state.

Eight chapters focus on the theoretical aspects of the reactivity of solids and the applications that are of practical importance. In a collection of reviews that highlight hot topics in the field of molecular solids, the authors of this volume emphasise the problems facing them. Contents:

1. Interplay between Intra- and Intermolecular Interactions in Solid-State Reactions
2. Cooperative Effects in Solid State Reactions
3. Some Aspects of Bimolecular Photoreactions in Crystals
4. Kinetics and Spatial Propagation of Intramolecular Reactions in Solids
5. Kinetic Descriptions of the Simplest Bimolecular Reactions in Organic Solids
6. Radical Solid-State Reactions at High Pressure
7. Polymorphs and Solvates of Molecular Solids in the Pharmaceutical Industry
8. Mechanochemical Synthesis and Mechanical Activation of Drugs.

When considering the biological significance and industrial and medical applications of biopolymers, it is crucial to know details of their secondary structure, dynamics and assembly. The biopolymers include globular, membrane and fibrous proteins, polypeptides, nucleic acids, polysaccharides and lipids. Solid state NMR spectroscopy has proved to be the most suitable and unrivaled means for investigations of biopolymers. The major advantage of solid state NMR spectroscopy is that the resulting line widths can be manipulated experimentally and are not influenced by motional fluctuation of proteins under consideration as a whole.

Solid State NMR Spectroscopy for Biopolymers: Principles and Applications provides a comprehensive account on how the conformation and dynamics of such biopolymers can be revealed by solid state NMR spectroscopy. Special efforts have been made towards the historical and chronological consequences of a variety of applications and the dynamic aspects of the biopolymer system. In particular, the authors emphasise how important it is to record the most simple DD-MAS (one pulse excitation with high power decoupling) as a mean of locating very flexible portions of membrane proteins and membrane associated peptides. The authors also demonstrate that dynamic features of membrane proteins with a timescale of fast (108 Hz) and intermediate (104 -105 Hz) fluctuation motions can be revealed easily by specific suppression of peaks.

In this primer to the many-body theory of condensed-matter systems, the authors introduce the subject to the non-specialist in a broad, concise, and up-to-date manner. A wide range of topics are covered including the second quantization of operators, coherent states, quantum-mechanical Green's functions, linear response theory, and Feynman diagrammatic perturbation theory. Material is also incorporated from quantum optics, low-dimensional systems such as graphene, and localized excitations in systems with boundaries as in nanoscale materials. Over 100 problems are included at the end of chapters, which are used both to consolidate concepts and to introduce new material. This book is suitable as a teaching tool for graduate courses and is ideal for non-specialist students and researchers working in physics, materials science, chemistry, or applied mathematics who want to use the tools of many-body theory.

Materials chemistry is a growing interdisciplinary field which interfaces with and draws from many disciplines including solid state chemistry and physics, materials science and crystallography. This volume provides a review of the main techniques and topical materials presented by leading workers in the field. The survey of techniques includes in-depth coverage of diffraction, microscopy, NMR and IR spectroscopic methods; and special emphasis is given to the growing role of computational and theoretical techniques. The development of new materials with specific applications is a major feature of contemporary materials chemistry. Later chapters of the book emphasize ionic conductors, superconductors, colossal magneto-resistance materials and catalytic systems (including micro- and meso-porous materials), to which several chapters are devoted. Synthetic aspects of the field are also emphasized. This comprehensive survey of the field should be of interest to research workers in the area of materials chemistry or related disciplines. It should also serve as an introduction to the field for graduate students.

From the beginnings of modern chemistry, molecular structure has been a lively area of research and speculation. For more than half a century spectroscopy and other methods have been available to characterize the structures and shapes of molecules, particularly those that are rigid. However, most molecules are at least to some degree non-rigid and this non-rigidity plays an important role in such diverse areas as biological activity, energy transfer, and chemical reactivity. In addition, the large-amplitude vibrations present in non-rigid molecules give rise to unusual low-energy vibrational level patterns which have a dramatic effect on the thermodynamic properties of these systems. Only in recent years has a coherent picture of the energetics and dynamics of the conformational changes inherent in non-rigid (and semi-rigid) molecules begun to emerge. Advances have been made in a number of different experimental areas: vibrational (infrared and Raman) spectroscopy, rotational (microwave) spectroscopy, electron diffraction, and, most recently, laser techniques probing both the ground and excited electronic states. Theoretically, the proliferation of powerful computers coupled with scientific insight has allowed both empirical and ab initio methods to increase our understanding of the forces responsible for the structures and energies of non-rigid systems. The development of theory (group theoretical methods and potential energy surfaces) to understand the unique characteristics of the spectra of these floppy molecules has also been necessary to reach our present level of understanding. The thirty chapters in this volume contributed by the key speakers at the Workshop are divided over the various areas. Both vibrational and rotational spectroscopy have been effective at determining the potential energy surfaces for non-rigid molecules, often in a complementary manner. Recent laser fluorescence work has extended these types of studies to electronic excited states. Electronic diffraction methods provide radial distribution functions from which both molecular structures and compositions of conformational mixtures can be found. Ab initio calculations have progressed substantially over the past few years, and, when carried out at a sufficiently high level, can accurately reproduce (or predict ahead of time) experimental findings. Much of the controversy of the ARW related to the question of when an ab initio is reliable. Since the computer programs are readily available, many poor calculations have been carried out. However, excellent results can be obtained from computations when properly done. A similar situation exists for experimental analyses. The complexities of non-rigid molecules are many, but major strides have been taken to understand their structures and conformational processes.

Historically, technological developments that have made use of the acidity/basicity of solids have often preceded an understanding of the phenomena involved. This, of course, is very expensive, and a far less efficient process than research based on a fundamental understanding of the science. For the last 50 years, therefore, a vast amount of research has been devoted to the subject: the rewards, in terms of technological advantage, were seen to be high. In the last few years, however, significant advances in the field have been achieved, in terms of our theoretical understanding, in instrumentation that allows research to be conducted "in situ" and under conditions appropriate to industrial processes, and in the realization that a closer coupling between science and technology can improve our quest. It is against such a background that "Acidity and Basicity of Solids" presents work in the field. This text should be suitable for specialized workers in the field and university teachers of introductory as well as graduate courses. The more general reader may find the reviews interesting.

Ultrafast science has long been limited to the investigation of molecular processes. Over the past 10 years investigation of ultrafast processes has expanded to material science, including aspects relevant to the solid-state such as excitation of electrons in band structures and collective phonon excitation. Specific probes for electronic and structural reorganization, such as X-ray diffraction and ARPES, have been advanced. Furthermore, experimental techniques including XFEL science, THz science and various pump-probe methods, as well as the theoretical understanding of ultrafast, out-of-equilibrium and multiscale processes driven by light or THz excitation, have seen rapid development. This volume brings together a complementarity of internationally-leading experimental material scientists and theoreticians in this field to explore and exchange their ideas about the key aspects of ultrafast science, designing new ways to control materials and understanding transformation processes. The topics covered include: Material science: ultrafast transformation, electron-phonon coupling, multi-scale aspects Theory of out of equilibrium light-induced phenomena Optical excitation processes THz and laser field excitation processes

In crystal chemistry and crystal physics, the relations between the symmetry groups (space groups) of crystalline solids are of special importance. Part 1 of this book presents the necessary mathematical foundations and tools: the fundamentals of crystallography with special emphasis on symmetry, the theory of the crystallographic groups, and the formalisms of the needed crystallographic computations. Part 2 gives an insight into applications to problems in crystal chemistry. With the aid of numerous examples, it is shown how crystallographic group theory can be used to make evident relationships between crystal structures, to set up a systematic order in the huge amount of known crystal structures, to predict crystal structures, to analyse phase transitions and topotactic reactions in the solid state, to understand the formation of domains and twins in crystals, and to avoid errors in crystal structure determinations. A broad range of end-of-chapter exercises offers the possibility to apply the learned material. Worked-out solutions to the exercises can be found at the end of the book.

The structural phase transition is one of the most fundamental problems in solid state physics. Layered transition-metal dichalcogenides provide us with a most exciting area for the study of structural phase transitions that are associated with the charge density wave (CDW). A large variety of structural phase transitions, such as commensurate and incommensurate transitions, and the physical proper ties related to the formation of a CDW, have been an object of intense study made for many years by methods employing modem microscopic techniques. Rather recently, efforts have been devoted to the theoretical understanding of these experimental results. Thus, McMillan, for example, has developed an elegant phenomenological theory on the basis of the Landau free energy expansion. An extension of McMillan's theory has provided a successful understanding of the successive phase transitions observed in the IT- and 2H-compounds. In addition, a microscopic theory of lattice instability, lattice dynamics, and lattice distortion in the CDW state of the transition-metal dichalcogenides has been developed based on their electronic structures. As a result, the driving force of the CDW formation in the IT- and 2H-compounds has become clear. Furthermore, the effect of lattice fluctuations on the CDW transition and on the anomalous behavior of various physical properties has been made clear microscopically."

Elementary Processes in Excitations and Reactions on Solid Surfaces explores the fundamental nature of dynamics on solid surfaces. Attempts are made to reveal various aspects of elementary processes in excitations and reactions on solid surfaces by recent theoretical and experimental developments of the subjects such as molecular beams interacting with surfaces, ion beam scattering, laser-induced dynamical processes, electronically induced dynamical processes, and optical properties of solid surfaces. This volume is devided into three parts. Part I is concerned mainly with the rich reaction dynamics on potential-energy surfaces. Part II is devoted to the interplay of excitations. In Part III, new and rapidly developing methods are introduced.

Surfaces and interfaces play an increasingly important role in today's solid state devices. In this book the reader is introduced, in a didactic manner, to the essential theoretical aspects of the atomic and electronic structure of surfaces and interfaces. The book does not pretend to give a complete overview of contemporary problems and methods. Instead, the authors strive to provide simple but qualitatively useful arguments that apply to a wide variety of cases. The emphasis of the book is on semiconductor surfaces and interfaces but it also includes a thorough treatment of transition metals, a general discussion of phonon dispersion curves, and examples of large computational calculations. The exercises accompanying every chapter will be of great benefit to the student.

This book presents a systematic description of the electronic and physico-chemical properties of transition-metal carbides and nitrides. This is the first book devoted to the theoretical modelling of refractory carbides and nitrides and alloys based on them. It makes use of computational methods to calculate their spectroscopic, electric, magnetic, superconducting, thermodynamical and mechanical properties. Calculated results on the electronic band structure of ideal binary transition metal carbides and nitrides are presented, and the influence of crystal lattice defects, vacancies and impurities are studied in detail. Data available on chemical bonding and the properties of multi-component carbide- and nitride-based alloys, as well as their surface electronic structure, are described and compared with those of bulk crystals.

Acid-base cements have been known since the mid-nineteenth century and offer an alternative to polymerization as a route for forming solid substances. They are quick setting materials and some have unusual properties for cements, such as adhesion and translucency. They find diverse applications ranging from the biomedical to the industrial. Despite this there has been a failure to recognize them as constituting a single, well defined class of material. This book attempts to remedy this situation by unifying the subject and treating this range of materials as a single class. Following a brief historical overview, an introductory chapter defines these cements as materials that are formed by reacting a basic powder with an acidic liquid to yield a salt-like matrix. The nature of the cementation process and the cement-forming acids and bases are discussed. Other chapters are devoted to the methods of study, the structure of water and simple polyelectrolyte theory. In the remaining chapters the various types of cements classified according the anionic constituent of the matrix, are described. Thus, there are chapters on polyalkenoate, phosphate, oxychloride, oxysulphate and the non-aqueous phenolate cements. A chapter is devoted to miscellaneous aqueous cements which include the recently discovered polyphosphonate cements.

The book contains the only available complete presentation of the mode-coupling theory (MCT) of complex dynamics of glass-forming liquids, dense polymer melts, and colloidal suspensions. It describes in a self-contained manner the derivation of the MCT equations of motion and explains that the latter define a model for a statistical description of non-linear dynamics.
It is shown that the equations of motion exhibit bifurcation singularities, which imply the evolution of dynamical scenarios different from those studied in other non-linear dynamics theories. The essence of the scenarios is explained by the asymptotic solution theory of the equations of motion. The leading-order results deal with scaling laws and the range of validity of these general laws is obtained by the derivation of the leading-correction results.
Comparisons of numerical solutions of the MCT equations of motion with the results of the analytic results of the asymptotic analysis demonstrate various facets of the MCT dynamics. Some comparisons of MCT results with data are used to show the relevance of MCT for the discussion of amorphous matter dynamics.

This is the first book to provide a comprehensive treatment of theories and applications in the rapidly expanding field of the crystallography of modular materials. Molecules are the natural modules from which molecular crystalline structures are built. Most inorganic structures, however, are infinite arrays of atoms and some kinds of surrogate modules, e.g. co-ordination polyhedra, are usually used to describe them. In recent years the attention has been focused on complex modules as the basis for a systematic description of polytypes and homologous/polysomatic series (modular structures). This representation is applied to the modelling of unknown structures and understanding nanoscale defects and intergrowths in materials. The Order/Disorder (OD) theory is fundamental to developing a systematic theory of polytypism, dealing with those structures based on both ordered and disordered stacking of one or more layers. Twinning at both unit-cell and micro-scale, together with disorder, causes many problems, "demons", for computer-based methods of crystal structure determination. This book develops the theory of twinning with the inclusion of worked examples, converting the "demons" into useful indicators for unravelling crystal structure. In spite of the increasing use of the concepts of modular crystallography for characterising, understanding and tailoring technological crystalline materials, this is the first book to offer a unified treatment of the results, which are spread across many different journals and original papers published over the last twenty years.

The fundamentals of astrochemistry in the gas phase are relatively well established, in contrast to the special relevance attributed to processes involving interstellar dust grains - the solid component of matter diffused among the stars.
This book presents the state of the art in relation to the ways grains interact with gases, the catalytic role played by dust that allows key molecular species (H2 as well as many complex, possibly prebiotic species) to be formed on its surface - which cannot be obtained efficiently by any other mechanisms, and the interaction between solids (dust grains, icy mantles, cometary nuclei, satellites of the giant planets and minor bodies in the Solar system) in space and energetic agents such as UV photons and fast particles.
The presence and importance of PAH, which may represent the smallest component of the grains, is considered in relation to possible astrobiological pathways and the ever-present mystery of the ubiquitous presence of Diffuse Interstellar Bands and their carriers.

The book targets a broad readership. First of all, it targets young researchers (postgraduate students) in solid state physics (both physicists and theoretical chemists) as it contains a wide and comprehensive coverage of all important branches of the subject including an up-to-date survey of recent revolutionary advances in quantum mechanics which have made it possible not only to calculate many properties of molecules and solids in close agreement with experiment, but to make reliable predictions in cases when a direct experiment is not possible (e.g. the Earth core). Secondly, it should be a valuable asset to established researchers in the areas of materials science, solid-state physics and chemistry due to very detailed explanations of a wide range of phenomena ranging from symmetry, lattice vibrations, electronic structure and superconductivity to magnetic and dielectric properties. Rigour and detail in explaining complicated mathematical techniques and in providing derivations when talking of various physical concepts are essential for those who would like to really understand things they have never had a chance to. Because of that and of the fact that the book contains a lot of material from different areas of solid-state physics retold from a single viewpoint, it should be indispensable for lecturers. Not only a number of courses, both general and specialised, should be possible to set up, but these courses may also be of a different level of difficulty ranging from undergraduate, postgraduate and then to highly advanced ones. This is because of a clear marking system adopted in the book. Hence, it should also be useful for advanced third- and fourth-year undergraduate students.

This book presents a computational scheme for calculating the electronic properties of crystalline systems at an ab-ini tio Hartree-Fock level of approximation. The first chapter is devoted to discussing in general terms the limits and capabilities of this approximation in solid state studies, and to examining the various options that are open for its implementation. The second chapter illustrates in detail the algorithms adopted in one specific computer program, CRYSTAL, to be submitted to QCPE. Special care is given to illustrating the role and in: fluence of computational parameters, because a delicate compromise must always be reached between accuracy and costs. The third chapter describes a number of applications, in order to clarify the possible use of this kind of programs in solid state physics and chemistry. Appendices A, B, and C contain various standard expressions, formulae, and definitions that may be useful for reference purposes; appendix D is intended to facilitate the interpretations of symbols, conventions, and acronyms that occur in the book. Thanks are due to all those who have contributed to the implementation and test of the CRYSTAL program, especially to V.R. Saunders and M. Causal, and to F. Ricca, E. Ferrero, R. Or lando, E. Ermondi, G. Angonoa, P. Dellarole, G. Baracco