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.

"Physics of Cryocrystals offers the first comprehensive treatment of molecular cryosolids. The book focuses on the distinctions between molecular and atomic cryocrystals, especially on the role of molecular rotation. Also considered are how cryocrystals are used for investigating the lattice dynamics of crystals with isotropic and anisotropic interactions, phase transitions, melting, different kinds of electronic excitations in insulators, and impurity effects. Detailed tables and graphs of molecular parameters, essential thermodynamic data, and lattice-dynamic data serve to make Physics of Cryocrystals an invaluable sourcebook." "Contents" Physics of Cryocrystals offers the first comprehensive treatment of molecular cryosolids. The book focuses on the distinctions between molecular and atomic cryocrystals, especially on the role of molecular rotation. Also considered are how cryocrystals are used for investigating the lattice dynamics of crystals with isotropic and anisotropic interactions, phase transitions, melting, different kinds of electronic excitations in insulators, and impurity effects. Detailed tables and graphs of molecular parameters, essential thermodynamic data, and lattice-dynamic data serve to make Physics of Cryocrystals an invaluable sourcebook.

In Resonances, Instability, and Irreversibility: The Liouville Space Extension of Quantum Mechanics

T. Petrosky and I. Prigogine

Unstable Systems in Generalized Quantum Theory

E. C. G. Sudarshan, Charles B. Chiu, and G. Bhamathi

Resonances and Dilatation Analyticity in Liouville Space

Erkki J. BrAndas

Time, Irreversibility, and Unstable Systems in Quantum Physics

E. Eisenberg and L. P. Horwitz

Quantum Systems with Diagonal Singularity

I. Antoniou and Z. Suchanecki

Nonadiabatic Crossing of Decaying Levels

V. V. and Vl. V. Kocharovsky and S. Tasaki

Can We Observe Microscopic Chaos in the Laboratory?

Pierre Gaspard

Proton Nonlocality and Decoherence in Condensed Matter -- Predictions and Experimental Results

C. A. Chatzidimitriou-Dreismann

"We are at a most interesting moment in the history of science. Classical science emphasized equilibrium, stability, and time reversibility. Now we see instabilities, fluctuations, evolution on all levels of observations. This change of perspective requires new tools, new concepts. This volume invites the reader not to an enumeration of final achievements of contemporary science, but to an excursion to science in the making." --from the Foreword by I. Prigogine

What are the dynamical roots of irreversibility? How can past and future be distinguished on the fundamental level of description? Are human beings the children of time --or its progenitors? In recent years, a growing number of chemists and physicists have agreed that the solution to the problem of irreversibility requires an extension of classical and quantum mechanics. There is, however, no consensus on which direction this extension should taketo include the dynamical description of irreversible processes.

Resonances, Instability, and Irreversibility surveys recent attempts --both direct and indirect --to address the problem of irreversibility. Internationally recognized researchers report on their recent studies, which run the gamut from experimental to highly mathematical. The subject matter of these papers falls into three categories: classical systems with emphasis on chaos and dynamical instability, resonances and unstable quantum systems, and the general problem of irreversibility.

Presenting the cutting edge of research into some of the most compelling questions that face contemporary chemical physics, Resonances, Instability, and Irreversibility is fascinating reading for professionals and students in every area of the discipline.

This book is dedicated to the field of conductive polymers, focusing on electrical interactions with biological systems. It addresses the use of conductive polymers as the conducting interface for electrical communications with the biological system, both in vitro and in vivo. It provides an overview on the chemistry and physics of conductive polymers, their useful characteristics as well as limitations, and technologies that apply conductive polymers for medical purposes. This groundbreaking resource addresses cytotoxicity and tissue compatibility of conductive polymers, the basics on electromagnetic fields, and commonly used experimental methods. Readers will also learn how cells are cultured in vitro with conductive polymers, and how conductive polymers and living tissues interact electrically. Throughout the contents, chapter authors emphasize the importance of conductive polymers in biomedical engineering and their potential applications in medicine.

Coulomb Excitations and Decays in Graphene-Related Systems provides an overview of the subject under the effects of lattice symmetries, layer numbers, dimensions, stacking configurations, orbital hybridizations, intralayer and interlayer hopping integrals, spin-orbital couplings, temperatures, electron/hole dopings, electric field, and magnetic quantization while presenting a new theoretical framework of the electronic properties and the electron-electron interactions together. This book presents a well-developed theoretical model and addresses important advances in essential properties and diverse excitation phenomena. Covering plenty of critical factors related to the field, the book also addresses the theoretical model which is applicable to various dimension-enriched graphene-related systems and other 2D materials, including layered graphenes, graphites, carbon nanotubes, silicene, and germanene. The text is aimed at professionals in materials science, physics, physical chemistry, and upper level students in these fields.

Charged Particle and Photon Interactions with Matter offers in-depth perspectives on phenomena of ionization and excitation induced by charged particle and photon interactions with matter in vivo and in vitro. This reference probes concepts not only in radiation and photochemistry, but also in radiation physics, radiation biochemistry, and radiation biology as well as recent applications in medicine and material, environmental, space, and biological science and engineering. It studies reports on the interactions of high-energy photons, specifically in the vacuum ultraviolet-soft X-ray region to offer fundamental information on the primary processes of the interactions of charged particles with matter.

Over recent years electronic spectroscopy has developed significantly, with key applications in atmospheric chemistry, astrophysics and astrochemistry. High Resolution Electronic Spectroscopy of Small Molecules explores both theoretical and experimental approaches to understanding the electronic spectra of small molecules, and explains how this information translates to practice. Professors Geoffrey Duxbury and Alexander Alijah present the links between spectroscopy and photochemistry, and discuss theoretical treatments of the interaction between different electronic states. They provide a thorough discussion of experimental techniques, and explore practical applications. This book will be an indispensable reference for graduate students and researchers in physics and chemistry working on theoretical and practical aspects of electronic spectra, as well as atmospheric scientists, photochemists, kineticists and professional spectroscopists.

In the 1970s, Density Functional Theory (DFT) was borrowed from physics and adapted to chemistry by a handful of visionaries. Now chemical DFT is a diverse and rapidly growing field, its progress fueled by numerous developing practical descriptors that make DFT as useful as it is vast. With 34 chapters written by 65 eminent scientists from 13 different countries, Chemical Reactivity Theory: A Density Functional View represents the true collaborative spirit and excitement of purpose engendered by the study and use of DFT. This work instructs readers on how concepts from DFT can be used to describe, understand, and predict chemical reactivity. Prior knowledge is not required as early chapters, written by the field's original pioneers, cover basic ground-state DFT and its extensions to time-dependent systems, excited states, and spin-polarized molecules. While the text is accessible to senior undergraduate or beginning graduate students, experienced researchers are certain to find interesting new insights in the perspectives presented by these seasoned experts. This remarkable one-of-a-kind resource- Provides authoritative accounts on aspects of the theory of chemical reactivity Describes various global reactivity descriptors, such as electronegativity, hardness, and electrophilicity Introduces and analyzes the usefulness of local reactivity descriptors such as Fukui, shape, and electron localization functions Offers an in-depth analysis of how chemical reactivity changes during different physicochemical processes or in the presence of external perturbations The book covers a gamut of related topics such as methods for determining atoms-in-molecules, population analysis, electrostatic potential, molecular quantum similarity, aromaticity, and biological activity. It also discusses the role of reactivity concepts in industrial and other practical applications. Whether you are searching for new products or new research projects, this is the ultimate guide for understanding chemical reactivity.

Quantum Mechanics for Chemists is designed to provide chemistry undergraduates with a basic understanding of the principles of quantum mechanics. The text assumes some knowledge of chemical bonding and a familiarity with the qualitative aspects of molecular orbitals in molecules such as butadiene and benzene. Thus it is intended to follow a basic course in organic and/or inorganic chemistry. The approach is rather different from that adopted in most books on quantum chemistry in that the Schr/dinger wave equation is introduced at a fairly late stage, after students have become familiar with the application of de Broglie-type wavefunctions to free particles and particles in a box. Likewise, the Hamiltonian operator and the concept of eigenfunctions and eigenvalues are not introduced until the last two chapters of the book, where approximate solutions to the wave equation for many-electron atoms and molecules are discussed. In this way, students receive a gradual introduction to the basic concepts of quantum mechanics. Ideal for the needs of undergraduate chemistry students, Tutorial Chemistry Texts is a major series consisting of short, single topic or modular texts concentrating on the fundamental areas of chemistry taught in undergraduate science courses. Each book provides a concise account of the basic principles underlying a given subject, embodying an independent-learning philosophy and including worked examples."

These sixteen fascinating essays investigate how political, economic and material changes in the sixteenth and seventeenth century Europe also transformed the perception of nature, ideas about science, art and technology. Topics include:
* the Dutch tulip-mania of 1637
* alchemy and commercial exchange in the Holy Roman Empire
* the role of merchants in the origins of the Wunderkammer
* and Spanish sea charts and territorial claims.

Since the turn of the 21st century, the field of electron molecule collisions has undergone a renaissance. The importance of such collisions in applications from radiation chemistry to astrochemistry has flowered, and their role in industrial processes such as plasma technology and lighting are vital to the advancement of next generation devices. Furthermore, the development of the scanning tunneling microscope highlights the role of such collisions in the condensed phase, in surface processing, and in the development of nanotechnology. Low-Energy Electron Scattering from Molecules, Biomolecules and Surfaces highlights recent progress in the theory and experiment of electron-molecule collisions, providing a detailed review of the current state of knowledge of electron molecule scattering-theoretical and experimental-for the general physicist and chemist interested in solving practical problems. In few other branches of science is the collaboration between theorists and experimentalists so topical. Covering advancements in practical problems, such as those met in plasma physics, microelectronics, nanolithography, DNA research, atmospheric chemistry, and astrochemistry, this book describes the formal general scattering theory and description of the experimental setup at a level the interested non-expert can appreciate.

A full understanding of modern chemistry is impossible without quantum theory. Since the advent of quantum mechanics in 1925, a number of chemical phenomena have been explained, such as electron transfer, excitation energy transfer, and other phenomena in photochemistry and photo-physics. Chemical bonds can now be accurately calculated with the help of a personal computer. Addressing students of theoretical and quantum chemistry and their counterparts in physics, Chemical Physics: Electrons and Excitations introduces chemical physics as a gateway to fields such as photo physics, solid-state physics, and electrochemistry. Offering relevant background in theory and applications, it covers the foundations of quantum mechanics and molecular structure, as well as more specialized topics such as transfer reactions and photochemistry.

This study of Australian business institutions and practices places the rise of big business in Australia in a comparative context through a study of its 100 largest firms in the first six and a half decades of the 20th century.
Unlike many of the wealthy economies of the northern hemisphere, Australia's lists of the 100 largest firms were dominated up to World War II by those from the resource and service industries. The high levels of foreign direct investment in the resources and manufacturing industries is also highlighted. Other chapters employ 21st-century theories of the firm to explore business behaviour in more depth.

High-performance secondary batteries, also called rechargeable or storage batteries, are a key component of electric automobiles, power storage for renewable energies, load levellers of electric power lines, base stations for mobile phones, and emergency power supply in hospitals, in addition to having application in energy security and realization of a low-carbon and resilient society. A detailed understanding of the physics and chemistry that occur in secondary batteries is required for developing next-generation secondary batteries with improved performance. Among various types of secondary batteries, lithium-ion batteries are most widely used because of their high energy density, small memory effect, and low self-discharge rate. This book introduces lithium-ion batteries, with an emphasis on their overview, roadmaps, and simulations. It also provides extensive descriptions of ion beam analysis and prospects for in situ diagnostics of lithium-ion batteries. The chapters are written by specialists in cutting-edge research on lithium-ion batteries and related subjects. The book will be a great reference for advanced undergraduate- and graduate-level students, researchers, and engineers in electrochemistry, nanotechnology, and diagnostic methods and instruments.

In this book, new developments based on conceptual density functional theory (CDFT) and its applications in chemistry are discussed. It also includes discussion of some applications in corrosion and conductivity and synthesis studies based on CDFT. The electronic structure principles-such as the electronegativity equalization principle, the hardness equalization principle, the electrophilicity equalization principle, and the nucleophilicity equalization principle, along studies based on these electronic structure principles-are broadly explained. In recent years some novel methodologies have been developed in the field of CDFT. These methodologies have been used to explore mutual relationships between the descriptors of CDFT, namely electronegativity, hardness, etc. The mutual relationship between the electronegativity and the hardness depend on the electronic configuration of the neutral atomic species. The volume attempts to cover almost all such methodology. Conceptual Density Function Theory and Its Application in the Chemical Domain will be an appropriate guide for research students as well as the supervisors in PhD programs. It will also be valuable resource for inorganic chemists, physical chemists, and quantum chemists. The reviews, research articles, short communications, etc., covered by this book will be appreciated by theoreticians as well as experimentalists.

Water, with its simple molecular structure, reveals a complex nature upon interaction with other molecules and surfaces. Water at Interfaces: A Molecular Approach provides a broad, multidisciplinary introduction to water at interfaces, focusing on its molecular characteristics. The book considers interfaces at different length scales from single water molecules to involvement of large numbers of water molecules, and from one-dimensional to three-dimensional interfaces. It begins with individual water molecules, describing their basic properties and the fundamental concepts that form the basis of this book. The text explores the main interfaces involving pure and ion-free condensed (liquid and solid) water, including water vapor/liquid water, liquid/oil, and liquid/solid interfaces. It examines water molecules on ideal surfaces-well-ordered (crystalline) and defect-free-covering topics such as electronic structure using frontier orbitals and substrate-induced structuring. The book discusses the affinity of water to surfaces, hydrophobicity and hydrophilicity, emphasizing two extreme cases of affinity. It then addresses real solid surfaces where water/solid interfaces play a key role in actual working conditions, examining water purification, photocatalytic activity, corrosion and degradation, and atmospheric agents. The final chapter deals with the interaction of water with the heterogeneous and complex surfaces of biomolecules, which can both influence the structure of the surrounding water and be modulated by the surrounding liquid. The author discusses simple to more complex biomolecules from peptides to proteins, nucleic acids, and membranes.

This book addresses the problem of teaching the Electronic Structure and Chemical Bonding of atoms and molecules to high school and university students. It presents the outcomes of thorough investigations of some teaching methods as well as an unconventional didactical approach which were developed during a seminar for further training organized by the University of Bordeaux I for teachers of the physical sciences.The text is the result of a collective effort by eleven scientists and teachers: physicists and chemists doing research at the university or at the CRNS, university professors, and science teachers at high-school or university level.While remaining wide open to the latest discoveries of science, the text also offers a large number of problems along with their solutions and is illustrated by several pedagogic suggestions. It is intended for the use of teachers and students of physics, chemistry, and of the physical sciences in general.

"Volume 25 introduces methods for the preparation of carbyne and addresses theoretical issues; discusses carbyne properties, spectroscopy, and chemical and crystal structure; explains the use of x-ray and neutron scattering for the structural evaluation of carbonaceous materials; and more."

This is the only series of volumes available that represents the cutting edge of research relative to advances in chemical physics.? Provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline.
Continues to report recent advances with significant, up-to-date chapters.Contributing authors are internationally recognized researchers.

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.

Molecular modeling is becoming an increasingly important part of chemical research and education as computers become faster and programs become easier to use. The results, however, have not become easier to understand. Addressing the need for a "workshop-oriented" book, Molecular Modeling Basics provides the fundamental theory needed to understand not only what molecular modeling programs do, but also the gist of research papers that describe molecular modeling results. Written in a succinct manner using informal language, the book presents concise coverage of key concepts suitable for novices to the field. It begins by examining the potential energy surface (PES), which provides the connection between experimental data and molecular modeling. It explores ways to calculate energy by molecular and quantum mechanics. It describes molecular properties and the condensed phase, and shows how to extract and interpret information from a program output. The author uses hands-on exercises to illustrate concepts and he supplements the text with a blog containing animated tutorials and interactive figures. Drawn from the author's own lecture notes from a class he taught for many years at the University of Iowa, this volume introduces topics in such a way that beginners can clearly comprehend molecular modeling results. A perfect supplement to a molecular modeling textbook, the book offers students the "hands-on" practice they need to grasp sophisticated concepts. In addition to his blog, the author maintains a website describing his research and one detailing his seminars.

Written by highly regarded experts in the field, this book covers many of the major themes of chemical and biochemical physics, addressing important issues, from concept to technology to implementation. It provides new research and updates on a variety of issues in physical chemistry and biochemical physics. Many chapters include case studies and supporting technologies and explain the conceptual thinking behind current uses and potential uses not yet implemented. By providing an applied and modern approach, this volume presents a wide-ranging view of current developments in applied methodologies in chemical and biochemical physics research.

This prestigious series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. Volume 112 continues to report on recent advances through significant, up-to-date chapters by internationally recognized researchers.