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.

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.

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.

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.

The unique properties of ferromagnetic resonance (FMR) in magnetodielectric solids are widely used to create highly efficient analog information processing devices in the microwave range. Such devices include filters, delay lines, phase shifters, non-reciprocal and non-linear devices, and others. This book examines magnetic resonance and ferromagnetic resonance under a wide variety of conditions to study physical properties of magnetodielectric materials. The authors explore the properties in various mediums that significantly complicate magnetic resonance and provide a summary of related advances obtained during the last two decades. It also covers the emergence of new branches of the spectrum and anomalous dependencies on the magnetic field. Key Features: Reviews basic principles of the science of crystallographic symmetry and anisotropic solid-state properties Addresses the inhomogeneous nature of the distribution of the magnetization in the material being studied Explains the mathematic methods used in the calculation of anisotropic solids of a solid Provides the reader with a path to substitute electromagnetic waves when magnetostatic apparatus prove insufficient

Radiation from spectral lines can be absorbed and re- emitted many times in atomic vapours before it reaches the boundaries of the container encasing the vapour. This effect is known as radiation trapping. It plays an important role practically everywhere where atomic vapours occur, e.g. in spectroscopy, in gas lasers, in atomic line filters, in the determination of atomic lifetimes, in measurements of atomic interaction potentials, and in electric discharge lamps. This book for the first time assembles all the information necessary for a treatment of practical problems, emphasizing both physical insights and mathematical methods. After an introduction that reviews resonance radiation and collisional processes in atomic vapours, physical effects and mathematical methods for various types of problems (e.g. with or without saturation, particle diffusion, reflecting cell walls, etc.) are explained in detail. The last part of the book describes the applications of these methods to a variety of practical problems like cross-section measurements or the design of discharge lamps.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

Description
Surface Alloys and Alloy Surfaces is concerned with the structural, compositional, electronic and chemical properties of the surfaces of solids in which the surface layers, at least are alloyed. Two different categories of system are covered - the surfaces of bulk alloys (alloy surfaces) and surface phases in which one or more outermost atomic layers are alloyed, while the underlying bulk involves no such intermixing (surface alloys).
Importance of Topic
The surfaces of bulk alloys have long been known to be of practical interest for their chemical properties. It has also long been known that the surface composition of such alloys commonly differs from that of the underlying bulk. However, our understanding of these chemical and physical phenomena is far from complete and the application of surface science methods to investigate these phenomena is a manifestation of a general trend to study the surfaces of increasing complexity. Surface alloy formation, as a much more recently recognized phenomenon deserves more attention.
Why This Title
This title is important as it provides new insights into a mixture of new and old problems. It is the first to cover the important mixture of material on surface alloys and alloy surfaces. Each chapter is written by experts in different areas of these two interrelated topics, covering theory and experiment, physics and chemistry, geometrical and electronic structure. The coverage of the surface alloy topic is especially novel as it is relatively newly-recognised as quite a common phenomenon.

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.

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.

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.