Nuclear magnetic resonance spectroscopy, which has evolved only within the last 20 years, has become one of the very important tools in chemistry and physics. The literature on its theory and application has grown immensely and a comprehensive and adequate treatment ofall branches by one author, or even by several, becomes increasingly difficult. by experts workinginvarious This seriesis planned to present articles written fields of nuclear magnetic resonance spectroscopy, and will contain review articles as well as progress reports and original work. Its main aim, however, is to fill a gap, existing in literature, by publishing articles written by specialists, which take the reader from the introductory stage to the latest development in the field. The editors are grateful to the authors for the time and effort spent in writing the articles, and for their invaluable cooperation. The Editors Computer Assistance in the Analysis of High-Resolution NMR Spectra P. DIEHL and H. KELLERHALS Departmentof Physics, University ofBasle, Switzerland E. LUSTIG Food and Drug Administration, Washington, D.C., U.S.A.

Les hypotheses, n'en deplaise a mon contradicteur, sont l'ame des progres de la science. Louis Pasteur The concept of chirality, established 100 years ago, plays an im- portant role in almost all domains and dimensions of our recent scientific view of life. Chiral properties can be found in fundamen- tal nuclear particles, in molecules, and in the macroscopic world of living nature (plants and animals) and inanimate nature (crystals). In particular, chirality, or more precisely chiral excess, is evident in human beings. For example, the expected symmetry of the hands turns out to be functionally non-existent. Consequently chirality occurs in the technical sphere, where screws are the best-known examples, since most of them are made for right-handed people. Chirality is not confined to static objects but influences processes such as chemical reactions. The occurrence of chiral objects on different dimensional scales has been treated in the past in mutually independent frameworks. There were, however, two remarkable events from which the conclu- sion can be drawn that the appearance of chirality in various fields has a common cause. On the one hand, physicists found evidence that the well-known biomolecular homochirality can be traced back to the chirality of weak bosons. At the same time, on the other hand, the so-called thalidomide tragedy occurred when thalido- mide molecules of a certain chirality, taken by pregnant women, caused deformed children.

This book is intended to collect in one place as much information as possible on the use of EPR spectroscopy in the analysis of systems in which two or more spins are magnetically coupled. This is a field where research is very active and chemists are elbow-to-elbow with physicists and biologists in the forefront. Here, as in many other fields, the contributions coming from different disciplines are very important, but for active researchers it is sometimes difficult to follow the literature, due to differences in languages, and sources which are familiar to, e. g. , a physicist, are exotic to a chemist. Therefore, an effort is needed in order to provide a unitary description of the many different phenomena which are collected under the title. In order to define the arguments which are treated, it is useful to state clearly what is not contained here. So we do not treat magnetic phenomena in conductors and we neglect ferro- and antiferromagnetic resonance. The basic foundations of EPR spectroscopy are supposed to be known by the reader, while we introduce the basis of magnetic interactions between spins. In the first two chapters we review the foundations of exchange interactions, trying to show how the magnetic parameters are bound to the electronic structure of the interacting centers.

Isolated Cells and Perfused Organs 1. O. Kaplan, P.C.M. van Zijl, J.S. Cohen, Washington, DC/USA NMR Studies of Metabolism of Cells and Perfused Organs Individual Nuclei 2. S.R. Williams, London, UK In Vivo Proton Spectroscopy: Experimental Asoects and Potential 3. N. Beckmann, Basel, Switzerland In Vivo 13C Spectroscopy in Humans 4. M.J.W. Prior, R.J. Maxwell, J.R. Griffiths, London, UK Fluorine - 19F NMR Spectroscopy and Imaging In Vivo 5. J.S. Ingwall, Boston, MA/USA Measuring Cation Movements Across the Cell Wall Using NMR Spectroscopy: Sodium Movements in Striated Muscle 6. M. Rudin, A. Sauter, Basel, Switzerland In Vivo Phosphorus-31 NMR: Potential and Limitations

Progress made during the last few years in nonlinear optics and quantum electronics has significantly increased our understanding of the interactionbetween light and matter. Of great importance are third-order nonlinear Raman techniques such as CARS, RIKES, SRS, and DFWM. This book reflects the state of the art in coherent Raman spectroscopy. The contributions together provide an overview of the various Raman techniques that make available information about the fine structure of molecular energy levels, the collisional dynamics of atoms and molecules, and processes of internal energy disipation. Some of the contributions also report on the application of local, nonperturbing diagnosic methods forthe determination of parameters such as composition, temperature, density, velocity, and energy distribution between the internal degrees of freedom.

Modern Methods of Plant Analysis When the handbook Modern Methods of Plant Analysis was first introduced in 1954 the considerations were: 1. the dependence of scientific progress in biology on the improvement of existing and the introduction of new methods; 2. the difficulty in finding many new analytical methods in specialized journals which are normally not accessible to experimental plant biologists; 3. the fact that in the methods sections of papers the description of methods is frequently so compact, or even sometimes so incomplete that it is difficult to reproduce experiments. These considerations still stand today. The series was highly successful, seven volumes appearing between 1956 and 1964. Since there is still today a demand for the old series, the publisher has decided to resume publication of Modern Methods of Plant Analysis. It is hoped that the New Series will be just as acceptable to those working in plant sciences and related fields as the early volumes undoubtedly were. It is difficult to single out the major reasons for success of any publication, but we believe that the methods published in the first series were up-to-date at the time and presented in a way that made description, as applied to plant material, complete in itself with little need to consult other publications. Contributing authors have attempted to follow these guidelines in this New Series of volumes.

Localization 1. C.S. Bosch, J.J.H. Ackerman, St. Louis, MO/USA SurfaceCoil Spectroscopy 2. P. Styles, Oxford, UK Rotating Frame Spectroscopyand Spectroscopic Imaging 3. P.A. Bottomley, Schenectady, NY/USA DepthResolved Surface Coil Spectroscopy (Dress) 4. R.J. Ordidge, J.A. Helpern, Detroit, MI/USA Image Guided Volume Selective Spectroscopy: A Comparison of Techniques for In-Vivo 31P NMR Spectroscopy of Human Brain 5. M. Decorps, D. Bourgeois, Grenoble, France Localized Spectroscopy Using Static Magnetic Field Gradients: Comparison of Techniques 6. J.A. den Hollander, P.R. Luyten, Ad J.H. Marien, Best, The Netherlands 1H NMR Spectroscopy and Spectroscopic Imaging of the Human Brain Spectral Editing and Kinetic Measurements 7. H.P. Hetherington, Birmingham, AL/USA Homo- and Heteronuclear Editing in Proton Spectroscopy 8. D. Freeman, R. Hurd, Fremont, CA/USA Metabolite Specific Methods Using Double Quantum Coherence Transfer Spectroscopy 9. B.A. Berkowitz, Research Triangle Park, NC/USA Two-Dimensional Correlated Spectroscopy In-Vivo 10. G. Navon, Tel Aviv, Israel; T. Kushnir, Tel Hashomer, Israel; N. Askenasy, O. Kaplan, Tel Aviv, Israel Two-Dimensional 31P-1H Correlation Spectroscopy in Intact Organs and Their Extracts 11. M. Rudin, A. Sauter, Basel, Switzerland Measurement of Reaction Rates In Vivo Using Magnetization Transfer Techniques

The study of intermolecular forces began over one hundred years ago in 1873 with the famous thesis of van der Waals. In recent decades, knowledge of this field has expanded due to intensive research into both its theoretical and the experimental aspects. This is particularly true for the type of very strong cohesive force stressed in 1920 by Latimer and Rodebush: the hydrogen bond, a phenomenon already outlined in 1912 by Moore and Winemill. Hydrogen bonds exert a profound influence on most of the physical and chemical properties of the materials in which they are formed. Not only do they govern viscosity and electrical conductivity, they also intervene in the chemical reaction path which determines the kinetics of chemical processes. The properties of chemical substances depend to a large extent on intermolecular forces. In spite of this fundamental fact, too little attention is given to these properties both in research and in university teaching. For instance, in the field of pharmaceutical research, about 13000 compounds need to be studied in order to find a single new product that can be successfully marketed. The recognition of the need to optimize industrial research efficiency has led to a growing interest in promoting the study of inter molecular forces. Rising salary costs in industry have encou raged an interest in theoretical ideas which will lead to tailor made materials."

In 1989, the Swiss Society for Optics and Electron Microscopy (Schweizerische Gesellschaft fOr Optik und Elektronenmikroskopie - Societe Suisse d'Optique et de Microscopie Electronique), formerly founded as "Schweizerisches Komitee fOr Optik -Comite Suisse d'Optique" could celebrate its 40th anniversary. Already during and mainly just after World War II the then newly invented electron microscopy was introduced also in Switzerland and its importance quickly increased. In 1955, our Society was split into two sections, i.e. for Optics and for Electron Microscopy, both with their own secretaries. Other foreign Societies for electron microscopy in Europe and all over the world have celebrated their anniversaries in the last few years and held reviews at these occasions. In view of this and facing the fact that many of the pioneers and founders of our Society might help to record the history of electron microscopy in our country, the board of SGOEM-SSOME has decided to have a short review of its history written and published. This short review has now developed into a book. viii I would like to thank here all the authors, who have contributed to this volume very much. My special thanks go to Prof. Dr.John R. GOnter, without whose circumspective and energetic work this review of the history of electron microscopy in Switzerland would never have appeared.

"How does a photon get into an atom?" This question puzzled not only leading scientists, e.g. Schrodinger and Heisenberg. It is still asked by students. And it is, indeed, a key question of quantum mechanics.
James D. Macomber's book was the first to provide a didactic and unified approach to the answer. It has been updated with recent experimental results and modern theoretical interpretations, including quantum correlation effects in condensed matter, four-wave mixing and synchrotron radiation . The book has been written for final year undergraduate students in Chemistry and Physics. It provides an understanding for similarities among the spectroscopic methods, and is stimulating to read."

This phonon atlas presents a collection of phonon-dispersion and density-of states curves of more than a hundred insulating crystals. It grew out of an appendix to a handbook article on phonon spectra 2.1J from which it was fin ally separated mainly because this phonon atlas provides a rather self-con tained tool for every scientist who is working in the field of dynamical properties of solids. He often may find it' useful to have a handy documen tation of the experimental phonon dispersion curves which have been measured so far, together with information on calculated dispersion relations and densities of states. The book will be found to be incomplete by readers who are interested not only in phonon frequencies of a specific crystal but would also like to know about related properties such as elastic and dielectric constants. This is, at the present time, beyond the scope of this volume, but the authors would welcome all suggestions and criticism which could be considered for a forth coming edition. Furthermore, we would be pleased to provide interested readers with information about phonon spectra which came to our knowledge after completion of the manuscript. On the other hand, we will be most grateful for all information about phonon dispersion curves which is missing in our collection or new data for further editions."

Initiation of cancer in the cell is experimentally related to action of chemicals and radiation. For understanding the first steps of this interaction, approved methods from quantum theory and solid state physics are applied by the authors.
The approach of this book is interdisciplinary. Theoretical models are qualitatively applied. Known effects, like oncogene activation, anti-oncogenes, and disturbances of the cell's self-regulation are explained. The authors propose possible points of intervention in the cancer initiation process based on the theoretical considerations.

"Highly recommended for all academic library chemistry collections; biochemistry and medical collections may also want to consider." (Choice)
"Each entry is provided with a definition, a description of the effect, application, and literature citations...". the selection in this book is broad and useful." (J. of Am. Chem. Soc.)
"The book is not just a collection of definitions of acronyms, each entry contains a concise and informative explanation of the origins of the technique or method to which it refers... this book is a must for progression of any budding spectroscopist." (Analyst)

The second edition of this volume has been extensively revised. A different version of Chap. 7, reflecting recent significant progress in understanding of spatiotempo ral chaos, is now provided. Much new material has been included in the sections dealing with intermittency in birth-death models and noise-induced phase transi tions. A new section on control of chaotic behavior has been added to Chap. 6. The subtitle of the volume has been changed to better reflect its contents. We acknowledge stimulating discussions with H. Haken and E. Scholl and are grateful to our colleagues M. Bar, D. Battogtokh, M. Eiswirth, M. Hildebrand, K. Krischer, and V. Tereshko for their comments and assistance. We thank M. Lubke for her help in producing new figures for this volume. Berlin and Moscow A. s. Mikhailov April 1996 A. Yu. Loskutov Preface to the First Edition This textbook is based on a lecture course in synergetics given at the University of Moscow. In this second of two volumes, we discuss the emergence and properties of complex chaotic patterns in distributed active systems. Such patterns can be produced autonomously by a system, or can result from selective amplification of fluctuations caused by external weak noise."

For more than 100 years the Beilstein Handbook has been publishing checked and evaluated data on organic compounds. It has become the major reference book for the chemical and physical properties of organic com pounds. The prediction of these physical properties was the subject of the Beilstein workshop. The ability to predict physical properties is for several reasons of great interest to the Beilstein Institute. It is of primary importance to be able to check the abstracted data for accuracy and to eliminate simple mistakes like typing errors. Presently all the work whether manuscript writing or evaluation of data is carried out manually. This is very time consuming, with the entry of Beilstein into electronic data gathering and publication, the opportunity for computerized consistency checking has become available. Contrary to belief, when one examines the Beilstein Handbook or Chemical Abstracts there is a dearth of chemical information. There are a great many compounds but few are well defined resulting in large gaps in the information available to the chemist. These information gaps could be filled by using algorithmic methods to estimate the properties of interest. An important question to answer is "What is the chemist's reaction to estimated data?" Will he accept it for use, within limits defined by the method, or will it be unacceptable and therefore detrimental for the data base. However if one could partly fill gaps in the data base the increase in the power of the search techniques would be marked."

Our aim in this book is to present and enlarge upon those aspects of parallel computing that are needed by practitioners of computational science. Today al most all classical sciences, such as mathematics, physics, chemistry and biology, employ numerical methods to help gain insight into nature. In addition to the traditional numerical methods, such as matrix inversions and the like, a whole new field of computational techniques has come to assume central importance, namely the numerical simulation methods. These methods are much less fully developed than those which are usually taught in a standard numerical math ematics course. However, they form a whole new set of tools for research in the physical sciences and are applicable to a very wide range of problems. At the same time there have been not only enormous strides forward in the speed and capability of computers but also dramatic new developments in computer architecture, and particularly in parallel computers. These improvements offer exciting prospects for computer studies of physical systems, and it is the new techniques and methods connected with such computer simulations that we seek to present in this book, particularly in the light of the possibilities opened up by parallel computers. It is clearly not possible at this early stage to write a definitive book on simulation methods and parallel computing."

Considering aspects of symmetry rules in chemistry, one is faced with con tradictory terms as for example, "90 % concertedness" sometimes being used in literature. To accept conservation of orbital symmetry to be as controlled as inversion by alternative principles seems far more promising. The intention of this book is aimed at introducing a qualitative understanding of phase rela tions in electromagnetic interactions. Avoiding one-sided dogmatism we tried to demonstrate the importance of alternative principles as guidelines to the evolution of alternative order in chemical systems. Passing through the jungle of information it became extremly important to control again and again our insights into the ordering phenomena by experi ments under conditions as coherent as possible. We became more aware of the fact that chemistry - the science of "becoming" in complex systems - can not be understood by mechanistic details, i. e. THROUGHPUT-studies alone, because the mechanism is only true for the special system under inves tigation and does not offer a tool for the evolution of opposite order. We had to accept chemistry as a mediator between molecular physics and general epistemology. This quite unusual combination was directed by excel lent teachers and the realizations were made possible by enthusiastic, open minded coworkers (see references). The next target we will strive for on this journey will be to quantify the alternative principles, that means obtaining the order parameters of H. Haken (e. g. in asymmetric synthesis).

In this text experts review experimental studies that directly reveal the relationship between the atomic structure and physical behavior of high-Tc superconductors. The thorough discussion centers on twins, twin boundaries, the vortex lattice, and magnetic and mechanical properties in connection with structural imperfections. Particular attention is paid to the role of the oxygen atom in the Y-Ba-Cu-O and La-Cu-O species. The experimental methods evaluated include electron and X-ray diffraction, electron microscopy, and M-ssbauer spectroscopy. This book makes extraordinarily valuable data obtained at the Institute of Solid State Physics at Chernogolovka accessible to the wider international community of researchers in superconductivity.

In recent years there has been growing interest in the nucleon-nucleon correl ations inside nuclei. In many respects the motions of the nucleons can be very well described by an overall mean field, so that the motion of each nucleon is governed by the mean field due to all the other nucleons. This concept underlies the Fermi-gas, Hartree-Fock and shell models and has enabled a range of nuclear properties to be calculated, often to surprising accuracy. It gradually became clear, however, that these mean-field models are limited by the effects due to the very strong interactions between the nucleons that occur at short distances; these are the short-range correlations. They are responsible for instance for the high-momentum components in the nucleon momentum dis tribution, and prevent the simultaneous description of the nuclear density and momentum distributions by the same mean field. It thus becomes necessary to develop methods for including the effects of nucleon correlations in nuclei, and these are the main subject of this book. Some related problems of nuclear structure were discussed in an earlier book by the same authors: Nucleon Momentum and Density Distributions in Nuclei (Clarendon Press, Oxford, 1988). The main aim of that book was to study the effects of nucleon-nucleon correlations, both short-range and tensor, on the nucleon momentum distribution, which is particularly sensitive to these correl ations, and on the nucleon density distribution."

The quantum theory of magnetism is a well-developed part of contemporary solid-state physics. The basic concepts of this theory can be used to describe such important effects as ferromagnetic ordering oflocalized magnetic moments in crystals and ferromagnetism of metals produced by essentially delocalized electrons, as well as various types of mutual orientation of atomic magnetic moments in solids possessing different crystal lattices and compositions. In recent years, the spin-fluctuational approach has been developed, which can overcome some contradictions between "localized" and "itinerant" models in the quantum mechanics of magnetic crystals. These are only some of the principal achievements of quantum magnetic theory. Almost all of the known magnetic properties of solids can be qualitat ively explained on the basis of its concepts. Further developments should open up the possibility of reliable quantitative description of magnetic properties of solids. Unfortunately, such calculations based on model concepts appear to be very complicated and, quite often, not definite enough. The rather small number of parameters of qualitative models are usually not able to take into account the very different types of magnetic interactions that appear in crystals. Further development of magnetic theory requires quantitative information on electronic wave function in the crystal considered. This can be proved by electronic band structure and cluster calculations. In many cases the latter can be a starting point for quantitative calculations of parameters used in magnetic theory."

The aim of this book is to give a simple, short, and elementary introduction to the second quantized formalism as applied to a many-electron system. It is intended for those, mainly chemists, who are familiar with traditional quantum chemistry but have not yet become acquainted with second quantization. The treatment is, in part, based on a series of seminars held by the author on the subject. It has been realized that many quantum chemists either interested in theory or in applications, being educated as chemi ts and not as physicists, have never devoted themselves to taking a course on the second quantized approach. Most available textbooks on this topic are not very easy to follow for those who are not trained in theory, or they are not detailed enough to offer a comprehensive treatment. At the same time there are several papers in quantum chemical literature which take advantage of using second quantization, and it would be worthwhile if those papers were accessible for a wider reading public. For this reason, it is intended in this survey to review the basic formalism of second quantization, and to treat some selected chapters of quantum chemistry in this language. Most derivations will be carried out in a detailed manner, so the reader need not accept gaps to understand the result.

Plasma Spectroscopy systematically develops the foundations of spectroscopy for plasmas subjected to quasi-monochromatic electric fields in the microwave or visible range. Such fields may be due to longitudinal Langmuir waves or low hybrid oscillations, which are excited in pulsed discharged or by high-current beams of charged particles. Even more important are the transverse fields present in the plasmas of tokamaks, laser fusion, and technological microwave discharges. This book is intended for researchers dealing with plasma spectroscopy, plasma diagnostics, high frequency and microwave discharges, laser induced discharges, particle and laser-beam interactions with plasmas, controlled fusion, and ionospheric and astrophysical plasmas. It describes methods for measuring the field and plasma parameters and discusses their practical application. It also presents new results on nonpertubative analysis of the interaction of quantum systems with a strong radiation field.

The present book is an attempt to outline some, certainly not all, mathematical aspects of modern organic chemistry. We have focused our attention on topological, graph-theoretical and group-theoretical features of organic chemistry, Parts A, B and C. The book is directed to all those chemists who use, or who intend to use mathe matics in their work, and especially to graduate students. The level of our exposition is adjusted to the mathematical background of graduate students of chemistry and only some knowledge of elementary algebra and calculus is required from the readers of the book. Some less well-known. but still elementary mathematical facts are collected in Appendices 1-4. This, however, does not mean that the mathematical rigor and numerous tedious, but necessary technical details have been avoided. The authors' intention was to show the reader not only how the results of mathematical chemistry look, but also how they can be obtained. In accordance with this, Part 0 of the book contains a few selected advanced topics which should give the reader the flavour of the contemporary research in mathe matical organic chemistry. One of the authors (I.G.) was an Alexander von Humboldt fellow in 1985 when the main part of the book was written. He gratefully acknowledges the financial support of the Alexander von Humboldt Foundation which enabled his stay at the Max-Planck-Institut fUr Strahlenchemie in M iilheim and the writing of this book."

1. A.-R. Grimmer, Berlin, FRG; B. Bl}mich, Aachen, FRG: Introduction to Solid-State NMR 2. F. Laupretre, Paris, France: High-Resolution 13C NMRInvestigations of Local Dynamics in Bulk Polymers at Temperatures Below andAbove the Glass-Transition Temperature 3. D. Raftery, Philadelphia, PA;B.F. Chmelka, Santa Barbara, CA: Xenon NMR Spectroscopy 4. G. Fleischer, Leipzig, FRG; F. Fujara, Mainz, FRG: NMR as a Generalized Incoherent Scattering Experiment 5. P. Bl}mler, B. Bl}mich, Mainz, FRG: NMR Imaging of Solids

Solid-State NMR is a branch of Nuclear Magnetic Resonance which is presently experiencing a phase of strongly increasing popularity. The most striking evidence is the large number of contributions from Solid-State Resonance at NMR meetings, approaching that ofliquid state resonance. Important progress can be observed in the areas of methodological developments and applications to organic and inorganic matter. One volume devoted to more or less one of each of these areas has been published in the preceding three issues. This volume can be considered an addendum to this series. Selected methods and applications of Solid-State NMR are featured in three chapters. The first one treats the recoupling of dipolar interactions in solids, which are averaged by fast sample rotation. Following an introduction to effective Hamiltonians and Floquet theory, different types of experiment such as rotary resonance, dipolar chemical shift correlation spectroscopy, rotational resonance and multipulse recoupling are treated in the powerful Floquet formalism. In the second chapter, the different approaches to line narrowing of quadrupolar nuclei are reviewed in a. consistent formulation of double resonance (DaR) and dynamic angle spinning (DAS). Practical aspects of probe design are considered as well as advanced 2D experiments, sensitivity enhancement techniques, and spinning sideband manipulations. The use of such techniques dramatically increases the number of nuclei which can be probed in high resolution NMR spectroscopy. The final chapter describes new experimental approaches and results of structural studies of noncrystalline solids."