Nuclear magnetic resonance (NMR) is widely used across many fields of science because of the rich data it produces, and some of the most valuable data come from studies of nuclear spin relaxation in solution. The first edition of this book, published more than a decade ago, provided an accessible and cohesive treatment of the field. The present second edition is a significant update, covering important new developments in recent years. Collecting relaxation theory, experimental techniques, and illustrative applications into a single volume, this book clarifies the nature of the phenomenon, shows how to study it and explains why such studies are worthwhile. Coverage ranges from basic to rigorous theory and from simple to sophisticated experimental methods. Topics include cross-relaxation, multispin phenomena, relaxation studies of molecular dynamics and structure and special topics such as relaxation in systems with quadrupolar nuclei, in paramagnetic systems and in long-living spin states. Avoiding overly demanding mathematics, the authors explain spin relaxation in a manner that anyone with a familiarity with NMR can follow. The focus is on illustrating and explaining the physical nature of relaxation phenomena. Nuclear Spin Relaxation in Liquids: Theory, Experiments and Applications, 2nd Edition, provides useful supplementary reading for graduate students and is a valuable reference for NMR spectroscopists, whether in chemistry, physics or biochemistry.

Featuring contributions from leading experts, Organic Photochemistry and Photophysics is a unique resource that addresses the organic photochemistry and photophysical behavior in aromatic molecules, thiocarbonyls, selected porphyrins, and metalloporphyrins. The book presents theories pertaining to radiative and radiationless transitions. It describes excited-state proton-transfer reactions of aromatic compounds and the physical, energetic, and environmental effects of atom transfer reactions. The text discusses the role of the carbonyl and azo groups in ketones and azoalkanes in the development of photochemistry, followed by a review of nucleophilic substitution reactions in the photochemistry of aromatics (also called photosubstitution) and the various atomic bonds that result from these reactions. The book presents studies that explain the factors that govern the nature and efficiencies of SET-promoted photochemical reactions. It then focuses on photoamination as a convenient, powerful, and environmentally friendly synthetic process for transforming a variety of substrates into the corresponding aminated compounds. The final chapter explores how dye structure affects the sequence-dependence of DNA binding, which has potential applications in nonlinear optics and DNA detection as well as incorporating DNA into various nanostructures and devices. With an emphasis on the current uses of light in both materials chemistry and medicinal chemistry, this book serves as a comprehensive resource on photochemical reactions and discusses topics that are useful for researchers as well as newcomers in the fields of photochemistry, photobiology, photomedicine, and photophysics

It is difficult to imagine how our highly evolved technological society would function, or how life would even exist on our planet, if polymers did not exist. The intensive study of polymeric systems, which has been under way for several decades, has recently yielded new insights into the properties of assemblies of these complex molecules and the physical principles that govern their behavior. These developments have included new concepts to describe aspects of the many body behavior in these systems, microscopic analyses that bring our understanding of these systems much closer to our understanding of simple liquids and solids, and the discovery of novel chemistry that these molecules can catalyze.
This special topic volume of Advances in Chemical Physics surveys a number of these recent accomplishments. Supplemented with more than 250 illustrations, it provides a significant, up-to-date selection of papers by inter-nationally recognized researchers.
Topics include:
* Theory of Polyelectrolyte Solutions
* Star Polymers: Experiment, Theory, and Simulation
* Tethered Polymer Layers
* Living Polymers
* Transport and Kinetics in Electroactive Polymers
Self-contained, authoritative, and timely, Polymeric Systems makes the cutting edge of polymer research available to scientists in every branch of chemical physics.
Contributors to POLYMERIC SYSTEMS
JEAN-LOUIS BARRAT, DA(c)partement de Physique des MatA(c)riaux, UniversitA(c) Claude Bernard-Lyon l, France
A. BAUMGARTNER, Institut fA1/4r FestkArperforschung, Germany
M. A. CARIGNANO, Department of Chemistry, Purdue University, West Lafayette, Indiana
LEWIS J. FETTERS, CorporateResearch Science Laboratories, Exxon Research and Engineering Company, Annandale, New Jersey
SANDRA C. GREER, Department of Chemical Engineering, University of Maryland at College Park
GARY S. GREST, Corporate Research Science Laboratories, Exxon Research and Engineering Company, Annandale, New Jersey
JOHN S. HUANG, Corporate Research Science Laboratories, Exxon Research and Engineering Company, Annandale, New Jersey
JEAN-FRANAOIS JOANNY, Institut Charles Sadron, France
MICHAEL E. G. LYONS, Electroactive Polymer Research Group, Physical Chemistry Laboratory, University of Dublin, Ireland
M. MUTHUKUMAR, Department of Polymer Science, University of Massachusetts, Amherst, Massachusetts
DIETER RICHTER, Institut fA1/4r FestkArperforschung, Germany
I. SZLEIFER, Department of Chemistry, Purdue University, West Lafayette, Indiana

Remarkable developments in the spectroscopy field regarding ultrashort pulse generation have led to the possibility of producing light pulses ranging from 50 to5 fs and frequency tunable from the near infrared to the ultraviolet range. Such pulses enable us to follow the coupling of vibrational motion to the electronic transitions in molecules and solids in real time. Detailing these advanced developments, as well as the fundamental methods and tools of vibrational spectroscopy, Coherent Vibrational Dynamics providesresearchers and students with a uniquely comprehensive resource. With the contributions of pioneering scientists, this seminal volume - * Outlines the principles and tools used on time-domain vibrational spectroscopy and provides a general introduction to the subject of coherent phonons * Describes the modern methods for tunable ultrashort pulse generation from infrared to visible-UV * Reviews coherent vibrational dynamics in small molecules in liquids (hydrogen bonds), and in carbon based conjugated materials (polyenes, carotenoids, and semiconducting polymers) * Explores phonon dynamics in semiconductors (bulk and heterostructures) and in quasi-one-dimensional systems Supplemented with a great number of references, and covering fundamental as well advanced topics, this text provides a valuable reference for both graduate students and senior researchers investigating materials in physics, chemistry, and biology. It is also an excellent starting point for those who want to pursue research in the field of ultrafast optics and spectroscopy.

Thin films of conducting materials, such as metals, alloys and semiconductors are currently in use in many areas of science and technology, particularly in modern integrated circuit microelectronics that require high quality thin films for the manufacture of connection layers, resistors and ohmic contacts. These conducting films are also important for fundamental investigations in physics, radio-physics and physical chemistry. Physical Properties of Thin Metal Films provides a clear presentation of the complex physical properties particular to thin conducting films and includes the necessary theory, confirming experiments and applications. The volume will be an invaluable reference for graduates, engineers and scientists working in the electronics industry and fields of pure and applied science.

An In-Depth View of Hardware Issues, Programming Practices, and Implementation of Key Methods Exploring the challenges of parallel programming from the perspective of quantum chemists, Parallel Computing in Quantum Chemistry thoroughly covers topics relevant to designing and implementing parallel quantum chemistry programs. Focusing on good parallel program design and performance analysis, the first part of the book deals with parallel computer architectures and parallel computing concepts and terminology. The authors discuss trends in hardware, methods, and algorithms; parallel computer architectures and the overall system view of a parallel computer; message-passing; parallelization via multi-threading; measures for predicting and assessing the performance of parallel algorithms; and fundamental issues of designing and implementing parallel programs. The second part contains detailed discussions and performance analyses of parallel algorithms for a number of important and widely used quantum chemistry procedures and methods. The book presents schemes for the parallel computation of two-electron integrals, details the Hartree-Fock procedure, considers the parallel computation of second-order Moller-Plesset energies, and examines the difficulties of parallelizing local correlation methods. Through a solid assessment of parallel computing hardware issues, parallel programming practices, and implementation of key methods, this invaluable book enables readers to develop efficient quantum chemistry software capable of utilizing large-scale parallel computers.

Optical Spectroscopy of Lanthanides: Magnetic and Hyperfine Interactions represents the sixth and final book by the late Brian Wybourne, an accomplished pioneer in the spectroscopy of rare earth ions, and Lidia Smentek, a leading theoretical physicist in the field. The book provides a definitive and up-to-date theoretical description of spectroscopic properties of lanthanides doped in various materials. The book integrates computer-assisted calculations developed since Wybourne's classic publication on the topic. It contains useful Maple (TM) routines, discussions, and new aspects of the theory of f-electron systems. Establishing a unified basis for understanding state-of-the-art applications and techniques used in the field, the book reviews fundamentals based on Wybourne's graduate lectures, which include the theory of nuclei, the theory of angular momentum, Racah algebra, and effective tensor operators. It then describes magnetic and hyperfine interactions and their impact on the energy structure and transition amplitudes of the lanthanide ions. The text culminates with a relativistic description of f f electric and magnetic dipole transitions, covering sensitized luminescence and a new parametrization scheme of f-spectra. Optical Spectroscopy of Lanthanides enables scientists to construct accurate and reliable theoretical models to elucidate lanthanides and their properties. This text is ideal for exploring a range of lanthanide applications including electronic data storage, lasers, superconductors, medicine, nuclear engineering, and nanomaterials.

The purpose of this easy-to-use handbook is to provide a quick, accessible reference to nucleobase complexes. It describes these complexes with reference to methods of preparation, their characterization, and their toxicity and therapeutic indices. It lists the modes of coordination together with the relevant spectral data and major methods of investigation. This concise resource guide also includes data on the uncomplexed bases, such as solubility, pk, accepted structures in the solid state and solutions, and the natural occurrence of the base. Investigators in the fields of transition metal chemistry, biological inorganic chemistry and those working in medical laboratories will find this handbook indispensable.

The authors examine topics in modern physics and offer a unitary and original treatment of the fundamental problems of the dynamics of physical systems, as well as a description of the nuclear matter within a framework of general relativity. They show that some physical phenomena studied at two different resolution scales (e.g. microscale, cosmological scale), apparently with no connection between them, become compatible by means of the operational procedures, acting either as some "hidden" symmetries, or harmonic-type mappings. The book is addressed to the students, researchers and university/high school teachers working in the fields of mathematics, physics, and chemistry.

The present monograph attempts to unify these diverse and exciting new developments within a common framework. First, the physical principles underlying heterogenous electron-transfer processes are outlined in a concise way and are compared to the homogeneous counterpart. This analysis includes the notion of the Fermi level in liquids and solids as well as the distribution of electronic energy levels in solids and liquids. A comparison is made between the salient kinetic features of homogeneous and heterogeneous electron transfer reactions. This establishes the basis for the subsequent treatment of the transduction of excitation energy and photo-initiated electron transfer in organized molecular assemblies, such as micelles, vesicles and monolayers. Transmembrane redox processes are critically reviewed. Particular attention is given to semiconductor electrodes and particles. This includes a discussion of quantum size effects, the nature of space charge layers as well as surface states and the dynamics of charge carrier-induced redox reactions at the semiconductor solution interface. These processes are of fundamental importance in such diverse fields as photochromism, electrochromic displays, electroreprography and photography, information storage, photocatalysis, photodegradation of paints, and solar energy conversion.

Inorganic chemistry continues to generate much current interest due to its array of applications, ranging from materials to biology and medicine. Techniques in Inorganic Chemistry assembles a collection of articles from international experts who describe modern methods used by research students and chemists for studying the properties and structures of inorganic chemicals. Crystallography and diffraction methods The book begins by examining developments in small-molecule x-ray crystallography. It identifies some of the major advances, discusses current attitudes toward crystallography and its uses, and considers challenges and future prospects. It then examines how ab initio x-ray powder diffraction (XRPD) methods are used to determine structure, with discussions on metal pyrazolates, metal imidazolates, and metal pyrimidinolates. This is followed by a description of single crystal neutron diffraction, a powerful structural technique. The text highlights what can presently be achieved in neutron diffraction and discusses future applications of neutron scattering. Quantum chemistry Reflecting the popularity of density functional calculations, the book includes a chapter that focuses on quantum chemistry. It examines the latest computational techniques and describes how these techniques can be applied to solve a wide range of real-world problems encountered in the realm of inorganic chemistry and particularly in transition metal chemistry. It also explains the intelligent use of quantum chemical methods for the determination of molecular structure, reactivity, and spectra of coordination and organometallic compounds. Spectroscopy Lastly, the text explores important spectroscopic approaches. It first describes intermolecular nuclear Overhauser effect (NOE) NMR experiments and diffusion experiments, offering examples that demonstrate theoretical aspects of the methodology. The final chapter summarizes recent experimental and theoretical work on pressure effects on the d-d and luminescence spectra of transition metal complexes. Derived from select articles in Comments on Inorganic Chemistry, this volume provides a solid background in the array of techniques available in the researcher's toolkit.

The world faces significant challenges as population and consumption continue to grow while nonrenewable fossil fuels and other raw materials are depleted at ever-increasing rates. This volume takes a technical approach that addresses these issues using green design and analysis. It brings together innovative research, new concepts, and novel developments in the application of new tools for chemical and materials engineers. It is an immensely research-oriented, comprehensive, and practical work that focuses on the use of applied concepts to enhance productivity and sustainability in chemical engineering. It contains significant research that reports on new methodologies and important applications in the fields of chemical engineering as well as the latest coverage of chemical databases. Highlighting theoretical foundations, real-world cases, and future directions, the volume covers a diverse collection of the newest innovations in the field, including new research on atomic/nuclear physics, the barometric formula, amino acids in aqueous solutions, bioremediation and biotechnology, and more.

Introduction to Crystal Growth: Principles and Practice teaches readers about crystals and their origins. It offers a historical perspective of the subject and includes background information whenever possible. The first section of this introductory book takes readers through the historical development and motivation of the field of crystal growth. With more than 40 years of experience in the field, the author covers nucleation, two-dimensional layer growth mechanism, defects in crystals, and screw dislocation theory of crystal growth. He also explains some aspects of the important subject of phase diagrams. The second section focuses on the experimental techniques of crystal growth. For practicing crystal growers, the book provides nuts-and-bolts techniques and tips. It discusses the major techniques categorized by solid-solid, liquid-solid, and vapor-solid equilibria and describes characterization techniques essential to measuring the quality of grown crystals.

The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics.

This volume in the prestigious Advances in Chemical Physics series, edited by Nobel Prize-winner Ilya Prigogine and renowned authority Stuart A. Rice, provides general information about a wide variety of topics in chemical physics. Experts present comprehensive analyses of subjects of interest and encourage the expression of individual points of view. This approach to presenting an overview of a subject will both stimulate new research and serve as a personalized learning text for beginners in the field.

Brownian diffusion is the motion of one or more solute molecules in a sea of very many, much smaller solvent molecules. Its importance today owes mainly to cellular chemistry, since Brownian diffusion is one of the ways in which key reactant molecules move about inside a living cell. This book focuses on the four simplest models of Brownian diffusion: the classical Fickian model, the Einstein model, the discrete-stochastic (cell-jumping) model, and the Langevin model. The authors carefully develop the theories underlying these models, assess their relative advantages, and clarify their conditions of applicability. Special attention is given to the stochastic simulation of diffusion, and to showing how simulation can complement theory and experiment. Two self-contained tutorial chapters, one on the mathematics of random variables and the other on the mathematics of continuous Markov processes (stochastic differential equations), make the book accessible to researchers from a broad spectrum of technical backgrounds.

This book describes the theory of how processes on the unobservable molecular scale give rise to observable effects such as diffusion and electrical noise on the macroscopic or laboratory scale. It puts the modern theory into historical context, and features new applications, statistical mechanics derivations, and the mathematical background of the topic.

Die einzige fortlaufende Reihe, die sich ausschliesslich den Highlights auf dem Gebiet der chemischen Physik widmet! Der Herausgeber, Nobelpreistrager, I. Prigogine, garantiert fur die ausserordentliche Qualitat der wissenschaftlichen Beitrage. (11/00)

Quantum mechanical tunneling plays important roles in a wide range of natural sciences, from nuclear and solid-state physics to proton transfer and chemical reactions in chemistry and biology. Responding to the need for further understanding of multidimensional tunneling, the authors have recently developed practical methods that can be applied to multidimensional systems. Quantum Mechanical Tunneling in Chemical Physics presents basic theories, as well as original ones developed by the authors. It also provides methodologies and numerical applications to real molecular systems. The book offers information so readers can understand the basic concepts and dynamics of multidimensional tunneling phenomena and use the described methods for various molecular spectroscopy and chemical dynamics problems. The text focuses on three tunneling phenomena: (1) energy splitting, or tunneling splitting, in symmetric double well potential, (2) decay of metastable state through tunneling, and (3) tunneling effects in chemical reactions. Incorporating mathematics to explain basic theories, the text requires readers to have graduate-level math to grasp the concepts presented. The book reviews low-dimensional theories and clarifies their insufficiency conceptually and numerically. It also examines the phenomenon of nonadiabatic tunneling, which is common in molecular systems. The book describes applications to real polyatomic molecules, such as vinyl radicals and malonaldehyde, demonstrating the high efficiency and accuracy of the method. It discusses tunneling in chemical reactions, including theories for direct evaluation of reaction rate constants for both electronically adiabatic and nonadiabatic chemical reactions. In the final chapter, the authors touch on future perspectives.

Volume 3 of the 5-volume Quantum Nanochemistry presents the chemical reactivity throughout the molecular structure in general and chemical bonding in particular by introducing the bondons as the quantum bosonic particles of the chemical field, localization, from Huckel to Density Functional expositions, especially in relation to how chemical principles of electronegativity and chemical hardness decide the global chemical reactivity and interaction. The volume presents the fundamental and advanced concepts, principles, and models as well as their first and novel combinations and applications in quantum (physical) chemical theory of bonding, molecular reactivity, and aromaticity.

This new book focuses on nanomaterial development as well as investigations of combustion and explosion processes. It presents valuable information on the modeling of processes and on quantum chemical calculations and leading-edge research from around the world in this dynamic field, focusing on concepts above formal experimental techniques and theoretical methods of chemical physics for micro- and nanotechnologies. Also presented are non-linear kinetic appearances and their possible applications.

All living organisms consist of soft matter. For this reason alone, it is important to be able to understand and predict the structural and dynamical properties of soft materials such as polymers, surfactants, colloids, granular matter and liquids crystals. To achieve a better understanding of soft matter, three different approaches have to be integrated: experiment, theory and simulation. This book focuses on the third approach - but always in the context of the other two.

This text contains a collection of lectures presented at the NATO ASI on "Frontiers of Chemical Dynamics" in Kemer, Turkey. Even though these articles include and sometimes emphasize the latest developments in corresponding research fields, they all share a common denominator, namely, they are intended as lectures for students at various levels as well as scientists entering a new field. It can, therefore, be used as a supplementary textbook for graduate courses on chemical dynamics. The various aspects of dynamical problems are discussed by experimentalists, theoreticians and those who carry out "numerical experiments", although it is not always easy to distinguish between theory and experiment. Most of the topics discussed offer different approaches to the same problem which will give an overall picture.

Chemical reactions at high pressures are widely used in modern technology (supercritical extraction is an example). On the other hand, critical phenomena is the more advanced field in statistical mechanics. There are thousands of theoretical and experimental articles published by physicists, chemists, biologists, chemical engineers and material scientists, but, to our knowledge, there are no books which link these two phenomena together. This book sums up the results of 222 published articles, both theoretical and experimental, which will be of great benefit to students and all researchers working in this field.

The Student Nonviolent Coordinating Committee formed in April 1960 to advance civil rights. With a tremendous human rights mission facing them, the founding SNCC members included communication and publicity as part of their initial purpose. This book provides a broad overview of these efforts from SNCC's birth in 1960 until the beginning of its demise in the late 1960s and examines the communication tools that SNCC leaders and members used to organize, launch, and carry out their campaign to promote civil rights throughout the 1960s. It specifically explores how SNCC workers used public relations to support and promote their platforms and to build a grassroots community movement; and how the organization later rejected these strategies for a radical and isolated approach.