Molecular similarity has always been an important conceptual tool of chemists, yet systematic approaches to molecular similarity problems have only recently been recognized as a major contributor to our understanding of molecular properties. Advanced approaches to molecular similarity analysis have their foundation in quantum similarity measures, and are important direct or indirect contributors to some of the predictive theoretical, computational, and also experimental methods of modern chemistry. This volume provides a survey of the foundations and the contemporary mathematical and computational methodologies of molecular similarity approaches, where special emphasis is given to applications of similarity studies to a range of practical and industrially significant fields, such as pharmaceutical drug design. The authors of individual chapters are leading experts in various sub-fields of molecular similarity analysis and the related fundamental theoretical chemistry topics, as well as the relevant computational and experimental methodologies. Whereas in each chapter the emphasis is placed on a different area, nevertheless, the overall coverage and the wide scope of the book provides the reader with a general yet sufficiently detailed description that may serve as a good starting point for new studies and applications of molecular similarity approaches. The editors of this volume are grateful to the authors for their contributions, and hope that the readers will find this book a useful and motivating source of information in the rapidly growing field of molecular similarity analysis.

This Advanced Study Institute on the topic of SOLID STATE MICROBATTERIES is the third and final institute on the general theme of a field of study now termed "SOLID STATE IONICS". The institute was held in Erice, Sicily, Italy, 3 - 15 July 1988. The objective was to assemble in one location individuals from industry and academia expert in the fields of microelectronics and solid state ionics to determine the feasibility of merging a solid state microbattery with microelectronic memory. Solid electrolytes are in principle amenable to vapor deposition, RF or DC sputtering, and other techniques used to fabricate microelectronic components. A solid state microbattery 1 1 mated on the same chip carrier as the chip can provide on board memory backup power. A solid state microbattery assembled from properly selected anode/solid electrolyte/cathode materials could have environmental endurance properties equal or superior to semiconductor memory chips. Lectures covering microelectronics, present state-of-art solid state batteries, new solid electrolyte cathode materials, theoretical and practical techniques for fabrication of new solid electrolytes, and analytical techniques for study of solid electrolytes were covered. Several areas where effort is required for further understanding of materials in pure form and their interactions with other materials at interfacial contact points were identified. Cathode materials for solid state batteries is one particular research area which requires attention. Another is a microscopic model of conduction in vitreous solid electrolytes to enhance the thermodynamic macroscopic Weak ~lectrolyte Iheory (WET).

Much of this book was written during a sabbatical visit by J. C. H. S. to the Max Planck Institute in Stuttgart during 1991. We are therefore grateful to Professors M. Ruhle and A. Seeger for acting as hosts during this time, and to the Alexander von Humbolt Foundation for the Senior Scientist Award which made this visit possible. The Ph. D. work of one of us (J. M. Z. ) has also provided much of the background for the book, together with our recent papers with various collaborators. Of these, perhaps the most important stimulus to our work on convergent-beam electron diffraction resulted from a visit to the National Science Foundation's Electron Microscopy Facility at Arizona State University by Professor R. H(lJier in 1988, and from a return visit to Trondheim by J. C. H. S. in 1990. We are therefore particularly grateful to Professor H(lJier and his students and co-workers for their encouragement and collaboration. At ASU, we owe a particular debt of gratitude to Professor M. O'Keeffe for his encouragement. The depth of his under standing of crystal structures and his role as passionate skeptic have frequently been invaluable. Professor John Cowley has also been an invaluable sounding board for ideas, and was responsible for much of the experimental and theoretical work on coherent nanodiffraction. The sections on this topic derive mainly from collaborations by J. C. H. S. with him in the seventies.

Small-angle scattering of X rays and neutrons is a widely used diffraction method for studying the structure of matter. This method of elastic scattering is used in various branches of science and technology, includ ing condensed matter physics, molecular biology and biophysics, polymer science, and metallurgy. Many small-angle scattering studies are of value for pure science and practical applications. It is well known that the most general and informative method for investigating the spatial structure of matter is based on wave-diffraction phenomena. In diffraction experiments a primary beam of radiation influences a studied object, and the scattering pattern is analyzed. In principle, this analysis allows one to obtain information on the structure of a substance with a spatial resolution determined by the wavelength of the radiation. Diffraction methods are used for studying matter on all scales, from elementary particles to macro-objects. The use of X rays, neutrons, and electron beams, with wavelengths of about 1 A, permits the study of the condensed state of matter, solids and liquids, down to atomic resolution. Determination of the atomic structure of crystals, i.e., the arrangement of atoms in a unit cell, is an important example of this line of investigation."

At first glance, the articles in this book may appear to have nothing in common. They cover such seemingly disparate subjects as the properties of small metallic clusters and the behavior of superfluid He3, nuclear physics and organic materials, copper oxides and mag netic resonance. Why have they been brought together, particUlarly in our time of narrow spe cialization? In fact, the properties and effects described in this book touch upon one and the same fundamental phenomenon: pair correlation. Introduced in the theory of superconductivity by J. Bardeen, L. Cooper, and J. Schrieffer (BCS), this effect plays a key role in various Fermi systems. The book consists of several sections. The first chapter is concerned with conven tional and high Tc superconductors. The second chapter describes two relatively young fami lies of superconductors: organics and fullerenes. Chapter III addresses the superfluidity of 3 He * The discovery of this phenomenon in 1971 was a big event in physics and last year was acknowledged by a Nobel prize. This book contains the text of the Nobel lecture. Chapters IV and V are devoted to correlations in finite Fermi systems such as small metallic clusters, C 60 anions, and atomic nuclei. The book thus covers a broad range of problems, illuminating the close ties between various areas of physics.

This thesis presents results from a combined atomic-resolution Z-contrast and annular bright-field imaging and electron energy loss spectroscopy in the Scanning Transmission Electron Microscopy, as well as first principles studies of the interfaces between crystalline Si3N4 and amorphous (i) CeO2-x as well as (ii) SiO2 intergranular film (IGF). These interfaces are of a great fundamental and technological interest because they play an important role in the microstructural evolution and mechanical properties of Si3N4 ceramics used in many high temperature and pressure applications. The main contribution of this work is its detailed description of the bonding characteristics of light atoms, in particular oxygen and nitrogen, at these interfaces, which has not been achieved before. The atomic-scale information on the arrangement of both light and heavy atoms is critical for realistic modeling of interface properties, such as interface strength and ion transport, and will facilitate increased control over the performance of ceramic and semiconductor materials for a wide-range of applications.

During the past decade the theoretical physics community has learned how to evaluate accurately polarizabilities and susceptibilities for many-electron systems such as atoms, solids, and liquids. The most accurate numerical technique employs a method often called the Time-Dependent Local Density Approximation, which is abbreviated TDLDA. The present volume is a review of recent research on the theory of po larizabilities and susceptibilities. Both authors have been doing these cal culations. However, this review surveys the entire field, summarizing the research of many contributors. The application of an external field, either ac or de, will induce a dipole moment which can be calculated and compared with experiment. For mod erately strong fields, both linear and nonlinear processes contribute to the moment. We cover topics such as polarizability, hyperpolarizability, pho toionization, phonons, and piezoelectricity. Density functional theory in the Local Density Approximation (LDA) has been shown to be a very accurate method for calculating ground state prop erties of electronic system. For static external fields, the induced moments are properties of the ground state. Then the calculation of the polarizability . is very accurate. For ac fields, the moment is not part of the ground state. However, the TDLDA methods are still very accurate."

"You, 0 Sun, are the eye of the world You are the soul of all embodied beings You are the source of all creatures You are the discipline of all engaged in work" - Translated from Mahabharata 3rd Century BC Today, energy is the lifeline and status symbol of "civilized" societies. All nations have therefore embarked upon Research and Development pro grams of varying magnitudes to explore and effectively utilize renewable sources of energy. Albeit a low-grade energy with large temporal and spatial variations, solar energy is abundant, cheap, clean, and renewable, and thus presents a very attractive alternative source. The direct conver sion of solar energy to electricity (photovoltaic effect) via devices called solar cells has already become an established frontier area of science and technology. Born out of necessity for remote area applications, the first commercially manufactured solar cells - single-crystal silicon and thin film CdS/Cu2S - were available well over 20 years ago. Indeed, all space vehicles today are powered by silicon solar cells. But large-scale terrestrial applications of solar cells still await major breakthroughs in terms of discovering new and radical concepts in solar cell device structures, utilizing relatively more abundant, cheap, and even exotic materials, and inventing simpler and less energy intensive fabrication processes. No doubt, this extraordinary challenge in R/D has led to a virtual explosion of activities in the field of photovoltaics in the last several years."

Many and ever more mobile users wish to enjoy a variety of multimedia services, in very diverse geographical environments. The growing number of communication options within and across wireless standards is accommodating the growing volume and heterogeneity in wireless wishes. On the other hand, advancement in radio technologies opening much more flexibility, a.o. through Software Defined Radios, opens up the possibility to realize mobile devices featuring multi-mode options at low cost and interesting form factors.

It is crucial to manage the new degrees of freedom opened up in radios and standards in a smart way, such that the required service is offered at satisfactory quality as efficiently as possible. Efficiency in energy consumption is clearly primordial for battery powered mobile terminals specifically, and in the context of growing ecological concerns in a broader context. Moreover, efficient usage of the spectrum is a growing prerequisite for wireless systems, and coexistence of different standards puts overall throughput at risk.

The management of flexibility risks bringing about intolerable complexity and hamper the desired agility. A systematic approach, consisting of anticipative preparing for smooth operation, allows mastering this challenge. Case studies show that already today, this approach enables smart operation of radios realizing impressive efficiency gains without hampering Quality-of-Service. In the future wireless communication scenes will be able to profit form the opening of the spectrum. Even smarter and cognitive behavior will become possible and essential.

This book offers a balanced mixture of practice-oriented information and theoretical background as well as numerous references, clear illustrations, and useful data tables. Problems and solutions are accessible via a special website. This new edition has been completely revised and extended; it now includes three new chapters on tandem mass spectrometry, interfaces for sampling at atmospheric pressure, and inorganic mass spectrometry.

The field of solid state ionics is multidisciplinary in nature. Chemists, physicists, electrochimists, and engineers all are involved in the research and development of materials, techniques, and theoretical approaches. This science is one of the great triumphs of the second part of the 20th century. For nearly a century, development of materials for solid-state ionic technology has been restricted. During the last two decades there have been remarkable advances: more materials were discovered, modem technologies were used for characterization and optimization of ionic conduction in solids, trial and error approaches were deserted for defined predictions. During the same period fundamental theories for ion conduction in solids appeared. The large explosion of solid-state ionic material science may be considered to be due to two other influences. The first aspect is related to economy and connected with energy production, storage, and utilization. There are basic problems in industrialized countries from the economical, environmental, political, and technological points of view. The possibility of storing a large amount of utilizable energy in a comparatively small volume would make a number of non-conventional intermittent energy sources of practical convenience and cost. The second aspect is related to huge increase in international relationships between researchers and exchanges of results make considerable progress between scientists; one find many institutes joined in common search programs such as the material science networks organized by EEC in the European countries.

This volume contains the lectures and seminars presented at the NATO Advanced Study Institute on IIAdvances in Laser Spectroscopyll the tenth course of the Europhysics School of Quantum Electronics, held under the supervision of the Quantum Electronics Division of the European Physical Society. The Institute was held at Centro "I Cappuccinill San Miniato, Tuscany, July 26, - August 7, 1981. The Europhysics School of Quantum Electronics was started in 1970 with the aim of providing instruction for young researchers and advanced students already engaged in the area of quantum elec- tronics or wishing to switch to this area from a different back- ground. From the onset, the School has been under the direction of Prof. F. T. Arecchi, then at the University of Pavia, now at the University of Florence, .and Dr. D. Roess of Siemens, Munich. In 1981, Prof. H. Walther, University of Munich and Max-Planck- Institut fUr Quantenoptik joined as director. Each year the Directors choose a subject of particular interest, alternating fundamental topics with technological ones, and ask colleagues specifically competent in a given area to take the scientific responsibility for that course.

are intended to fill the gap between a manufacturer's handbook, and review articles that highlight the latest scientific developments. A fourth volume will deal with techniques for specimen handling, beam artifacts, and depth profiling. It will provide a compilation of methods that have proven useful for specimen handling and treatment, and it will also address the common artifacts and problems associated with the bombardment of solid sur faces by photons, electrons, and ions. A description will be given of methods for depth profiling. Surface characterization measurements are being used increasingly in di verse areas of science and technology. We hope that this series will be useful in ensuring that these measurements can be made as efficiently and reliably as possible. Comments on the series are welcomed, as are suggestions for volumes on additional topics. C. J. Powell Gaithersburg, Maryland A. W. Czandema Golden, Colorado D. M. Hercules Pittsburgh, Pennsylvania T. E. Madey New Brunswick, New Jersey J. T. Yates, Jr."

This book contains papers presented at the International Conference on Organic Superconductivity which was held May 20-24, 1990, at the Stanford Sierra Conference Center, South Lake Tahoe, California. In the twenty years since the First Conference on Organic Superconductivity was held (Hawaii, 1969), there has been remarkable progress in the field. At present, development is accelerating with contributions from many groups in many countries worldwide. The discovery of high Tc superconductivity by G. Bednorz and K. Muller in 1986 and subsequent developments in the ceramic superconductors have had an enormous impact on the field of superconductivity as a whole. This discovery occurred in an area entirely different from that of conventional superconduc tivity, underscoring the importance of the search for and study of novel materials of all kinds. We believe that the organics, with their wide range of structural, chemical, and physical properties, belong in this category of novel materials. This book reflects the efforts of researchers from various disciplines: physicists, chemists, and materials scientists. It addresses the normal and superconducting properties of organic materials, as well as the search for new compounds and new syntheses. We are pleased to note that one of these papers reports on the discovery of a new organic superconductor with a record high Tc in this class. One chapter is devoted to a comparison of organic superconductors and the cuprates, another, to the prospects of discovering other novel conducting or superconducting compounds."

The first Nato Advanced Studies Institute entirely devoted to density functional theory was held in Portugal in September 1983. The proceedings of this School, publis hed in early 1985, is still used as a standard reference covering the basic development of the theory and applications in atomic, molecular, solid state and nuclear physics. Ho wever, astonishing progress has been achieved in the intervening years: The foundations of the theory have been extended to cover excited states and time dependent problems more fully, density functional theory of classical liquids and superconducting systems has been addressed and extensions to relativistic, that is, field theoretical systems, as well as a more thorough discussion of magnetic field problems have been presented. In addition, new functionals have been devised, for instance under the heading of ge neralised gradient expansions, and the number of applications in the traditional fields has steadily increased, in particular in chemistry. Applications in new fields, as for instance the structure of atomic clusters and the marriage of density functional theory with molecular dynamics and simulated annealing, have provided additional impetus to the field of density functional theory."

Covering both theory and applications, this important work provides a comprehensive introduction to the modern theory of X-ray and electronic spectra of free atoms. Romas Karazija discusses methods of angular momenta, irreducible tensorial operators, and coefficients of fractional parentage and their use in determining cross sections and probabilities of elementary processes. In addition, Karazija addresses the structure of electronic shells with inner vacancies and many-body effects.

The great advantage of coincidence measurements is that by suitable choice of the kinematical and geometrical arrangement one may probe delicate physical effects which would be swamped in less differential experiments. The measurement of the triple dif ferential and higher-order cross sections presents enormous technical difficulties, but refined experiments of this type provide an insight into the subtleties of the scattering process and offer a welcome, if severe, test of the available theoretical models. The last few years have been an exciting time to work in the field and much has been learned. Profound insights have been gleaned into the basic Coulomb few body problem in atomic physics: the experimental study of the fundamental (e,2e) processes on hydrogen and helium targets continues to add to our knowledge and indeed to challenge the best of our theoretical models; significant advances have been made in the understanding of the "double excitation problem," that is the study of ionization processes with two active target electrons: important measurements of (e,3e), (, ), 2e), excitation-ionization and excitation autoionization have been reported and strides have been made in their theoretical description; the longstanding discrepancies between theory and experiment for relativistic (e,2e) processes were resolved, spin dependent effects predicted and ob served and the first successful coincidence experiments on surfaces and thin films were announced. Theory and experiment have advanced in close consort. The papers pre sented here cover the whole gambit of research in the field. Much has been achieved but much remains to be done."

This book is the second in a series of scientific textbooks designed to cover advances in selected research fields from a basic and general viewpoint, so that only limited knowledge is required to understand the significance of recent developments. Further assistance for the non-specialist is provided by the summary of abstracts in Part 2, which includes many of the major papers published in the research field. Crystal Growth of Semiconductor Materials has been the subject of numerous books and reviews and the fundamental principles are now well-established. We are concerned chiefly with the deposition of atoms onto a suitable surface - crystal growth - and the generation of faults in the atomic structure during growth and subsequent cooling to room temperature - crystal defect structure. In this book I have attempted to show that whilst the fundamentals of these processes are relatively simple, the complexities of the interactions involved and the individuality of different materials systems and growth processes have ensured that experimentally verifiable predictions from scientific principles have met with only limited success - good crystal growth remains an art. However, recent advances, which include the reduction of growth temperatures, the reduction or elimination of reactant transport variables and the use of better-controlled energy sources to promote specific reactions, are leading to simplified growth systems.

TiO2 Nanotube Arrays: Synthesis, Properties, and Applications is the first book to provide an overview of this rapidly growing field. Vertically oriented, highly ordered TiO2 nanotube arrays are unique and easily fabricated materials with an architecture that demonstrates remarkable charge transfer as well as photocatalytic properties. This volume includes an introduction to TiO2 nanotube arrays, as well as a description of the material properties and distillation of the current research. Applications considered include gas sensing, heterojunction solar cells, water photoelectrolysis, photocatalytic CO2 reduction, as well as several biomedical applications. Written by leading researchers in the field, TiO2 Nanotube Arrays: Synthesis, Properties, and Applications is a valuable reference for chemists, materials scientists and engineers involved with renewable energy sources, biomedical engineering, and catalysis, to cite but a few examples.

In this reference, the author thoroughly reviews the current state of condensed phosphate chemistry. A unique feature of this volume is an examination of the recent developments in X-ray structural techniques, reporting on fundamental results obtained through their use. Enhanced by comprehensive tables reporting crystal data, chapters identify and characterize more than 2,000 compounds. Additional features include a concise survey of the historical development of condensed phosphate chemistry; the presently accepted classification system; a review of each family of condensed phosphates and much more.

In this text, Shigeji Fujita and Salvador Godoy guide first and second-year graduate students through the essential aspects of superconductivity. The authors open with five preparatory chapters thoroughly reviewing a number of advanced physical concepts-such as free-electron model of a metal, theory of lattice vibrations, and Bloch electrons. The remaining chapters deal with the theory of superconductivity-describing the basic properties of type I, type II compound, and high-Tc superconductors as well as treating quasi-particles using Heisenberg's equation of motion. The book includes step-by-step derivations of mathematical formulas, sample problems, and illustrations.

There has been a steady advance of the atomic and molecular many-body methodology over the last few years, with a concomitant development of versatile computer codes. Understanding and interpretation of electronic structural features and the associated spectroscopic properties via many-body techniques are becoming competitive with those obtained with the traditional formalisms. Since the many-body techniques are not yet a part of the repertoire of the "black-box tools" of electronic structure and spectroscopy, it seems worthwhile to take stock now of the recent progress in certain selected areas. The present volume is more in the nature of proceedings of a "Paper Symposium," rather than of one which actually took place. We did organize in Calcutta, between December 10 and 12, 1990, a small meeting on Applied Many-Body Methods to Spectroscopy and Electronic Structure, jointly organized by the Indian Association for the Cultivation of Science and the S.N. Bose National Centre for Basic Sciences. Several leading practitioners were invited, among which some could not come for various reasons.

Light Microscopic Analysis of Mitochondrial Heterogeneity in Cell Populations and Within Single Cells, by S. Jakobs, S. Stoldt, and D. Neumann
*

Advanced Microscopy of Microbial Cells, by J. A. J. Haagensen, B. Regenberg, and C. Sternberg

*

Algebraic and Geometric Understanding of Cells, Epigenetic Inheritance of Phenotypes Between Generations, by K. Yasuda

*

Measuring the Mechanical Properties of Single Microbial Cells, by C. R. Thomas, J. D. Stenson, and Z. Zhang
*

Single Cell Analytics: Pushing the Limits of the Doable,
by H. Kortmann, L.M. Blank, and A. Schmid

*
Cultivation-Independent Assessment of Bacterial Viability, by F. Hammes, M. Berney, and T. Egli
*

Resolution of Natural Microbial Community Dynamics by Community Fingerprinting, Flow Cytometry and Trend Interpretation Analysis, by P. Bombach, T. Hubschmann, I. Fetzer, S. Kleinsteuber, R. Geyer, H. Harms, and S. Muller
*Multivariate Data Analysis Methods for the Interpretation of Microbial Flow Cytometric Data, by

H.M. Davey, and C.L. Davey

*

From Single Cells to Microbial Population Dynamics:

Modelling in Biotechnology Based on Measurements of Individual Cells, by T. Bley"

Terahertz science and technology is attracting great interest due to its application in a wide array of fields made possible by the development of new and improved terahertz radiation sources and detectors. This book focuses on the development and characterization of one such source - namely the semi-large aperture photoconducting (PC) antenna fabricated on Fe-doped bulk Ga0.69In0.31As substrate. The high ultrafast carrier mobility, high resistivity, and subpicosecond carrier lifetime along with low bandgap make Ga0.69In0.31As an excellent candidate for PC antenna based THz emitter that can be photoexcited by compact Yb-based multiwatt laser systems for high power THz emission. The research is aimed at evaluating the impact of physical properties of a semi-large aperture Ga0.69In0.31As PC antenna upon its THz generation efficiency, and is motivated by the ultimate goal of developing a high-power terahertz radiation source for time-domain terahertz spectroscopy and imaging systems.

The textbook we offer to the reader is based on a two-term course of lec tures, "Electromagnetic Response of Material Media," that the authors gave for a number of years to the final-year students of the Physics Depart ment of Moscow University. This course built on courses in quantum electronics, nonlinear optics and theoretical fundamentals of quantum radiophysics; students are as sumed to have mastered the fundamentals of quantum mechanics, laser physics and nonlinear optics. The essential core of the course, and hence of the book, is the current general theory of electromagnetic response of a nonrelativistic medium. The main aspects are presented in Chapters 1 and 2. The second part is devoted to more traditional topics which students learn in this course of lectures and also in the course "Condensed Matter Physics" for students who choose to major in radiophysics and laser physics; this course is also taught by the authors at the Physics Department. This volume was intended as a text for students and, as such, does not cite original publications. We decided to provide a list of additional recommended literature, mostly of well known, easily accessible textbooks.