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Since the early 20th century, X-ray and electron scattering has provided a powerful means by which the location of atoms can be identified in gas-phase molecules and condensed matter with sub-atomic spatial resolution. Scattering techniques can also provide valuable observables of the fundamental properties of electrons in matter such as an electron's spin and its energy. In recent years, significant technological developments in both X-ray and electron scattering have paved the way to time-resolved analogues capable of capturing real-time snapshots of transient structures undergoing a photochemical reaction. Structural Dynamics with X-ray and Electron Scattering is a two-part book that firstly introduces the fundamental background to scattering theory and photochemical phenomena of interest. The second part discusses the latest advances and research results from the application of ultrafast scattering techniques to imaging the structure and dynamics of gas-phase molecules and condensed matter. This book aims to provide a unifying platform for X-ray and electron scattering.

This book presents the latest advances and future trends in electron and phonon spectrometrics, focusing on combined techniques using electron emissions, electron diffraction, and phonon absorption and reflection spectrometrics from a substance under various perturbations to obtain new information on bond-electron-phonon dynamics. Discussing the principles of the bond order-length-strength (BOLS) correlation, nonbonding electron polarization (NEP), local bond average (LBA), and multi-field lattice oscillation dynamics for systems under perturbation, the book covers topics like differential photoelectron/phonon spectrometrics (DPS), which distils transition of the length, energy, stiffness and the fraction of bonds upon chemical or physical conditioning; and the derived performance of electrons in various bands in terms of quantum entrapment and polarization. This book appeals to researchers, scientists and engineers in the fields of chemistry, physics, surface and interface science, and materials science and engineering who are interested in electron and phonon spectrometrics.

This book explores key parameters, properties and fundamental concepts of electrocatalysis. It also discusses the engineering strategies, current applications in fuel-cells, water-splitting, metal-ion batteries, and fuel generation. This book elucidates entire category viewpoints together with industrial applications. Therefore, all the sections of this book emphasize the recent advances of different types of electrocatalysts, current challenges, and state-of-the-art studies through detailed reviews. This book is the result of commitments by numerous experts in the field from various backgrounds and expertise and appeals to industrialists, researchers, scientists and in addition understudies from various teaches.

Provides the background, tools, and models required to understand organic synthesis and plan chemical reactions more efficiently Knowledge of physical chemistry is essential for achieving successful chemical reactions in organic chemistry. Chemists must be competent in a range of areas to understand organic synthesis. Organic Chemistry provides the methods, models, and tools necessary to fully comprehend organic reactions. Written by two internationally recognized experts in the field, this much-needed textbook fills a gap in current literature on physical organic chemistry. Rigorous yet straightforward chapters first examine chemical equilibria, thermodynamics, reaction rates and mechanisms, and molecular orbital theory, providing readers with a strong foundation in physical organic chemistry. Subsequent chapters demonstrate various reactions involving organic, organometallic, and biochemical reactants and catalysts. Throughout the text, numerous questions and exercises, over 800 in total, help readers strengthen their comprehension of the subject and highlight key points of learning. The companion Organic Chemistry Workbook contains complete references and answers to every question in this text. A much-needed resource for students and working chemists alike, this text: -Presents models that establish if a reaction is possible, estimate how long it will take, and determine its properties -Describes reactions with broad practical value in synthesis and biology, such as C-C-coupling reactions, pericyclic reactions, and catalytic reactions -Enables readers to plan chemical reactions more efficiently -Features clear illustrations, figures, and tables -With a Foreword by Nobel Prize Laureate Robert H. Grubbs Organic Chemistry: Theory, Reactivity, and Mechanisms in Modern Synthesis is an ideal textbook for students and instructors of chemistry, and a valuable work of reference for organic chemists, physical chemists, and chemical engineers.

This book focuses on the electronic properties of transition metals in coordination environments. These properties are responsible for the unique and intricate activity of transition metal sites in bio- and inorganic catalysis, but also pose challenges for both theoretical and experimental studies. Written by an international group of recognized experts, the book reviews recent advances in computational modeling and discusses their interplay using experiments. It covers a broad range of topics, including advanced computational methods for transition metal systems; spectroscopic, electrochemical and catalytic properties of transition metals in coordination environments; metalloenzymes and biomimetic compounds; and spin-related phenomena. As such, the book offers an invaluable resource for all researchers and postgraduate students interested in both fundamental and application-oriented research in the field of transition metal systems.

This book focuses on the new frontiers of organofluorine chemistry in synthetic, organometallic, bioorganic, medicinal, agricultural, and materials chemistry as well as chemical physics and their applications to biomedical and material sciences. The extraordinary potential of fluorine-containing molecules in biology, pharmaceuticals, agrochemical, materials and their wide range of applications has been recognized by researchers who are not in the traditional fluorine chemistry field, and thus the new wave of organofluorine chemistry is rapidly expanding its frontiers.Featuring major leading researchers from all over the world and their cutting-edge research projects, this title reviews the recent advances and envision the new exciting developments in the future. Frontiers of Organofluorine Chemistry is an excellent reference book for professional researchers, and graduate students, in both industry and academia to get inspirations and new ideas for their projects.

This is the second volume of a two volume set which presents the results of the 31st International Symposium on Shock Waves (ISSW31), held in Nagoya, Japan in 2017. It was organized with support from the International Shock Wave Institute (ISWI), Shock Wave Research Society of Japan, School of Engineering of Nagoya University, and other societies, organizations, governments and industry. The ISSW31 focused on the following areas: Blast waves, chemical reacting flows, chemical kinetics, detonation and combustion, ignition, facilities, diagnostics, flow visualization, spectroscopy, numerical methods, shock waves in rarefied flows, shock waves in dense gases, shock waves in liquids, shock waves in solids, impact and compaction, supersonic jet, multiphase flow, plasmas, magnetohyrdrodynamics, propulsion, shock waves in internal flows, pseudo-shock wave and shock train, nozzle flow, re-entry gasdynamics, shock waves in space, Richtmyer-Meshkov instability, shock/boundary layer interaction,shock/vortex interaction, shock wave reflection/interaction, shock wave interaction with dusty media, shock wave interaction with granular media, shock wave interaction with porous media, shock wave interaction with obstacles, supersonic and hypersonic flows, sonic boom, shock wave focusing, safety against shock loading, shock waves for material processing, shock-like phenomena, and shock wave education. These proceedings contain the papers presented at the symposium and serve as a reference for the participants of the ISSW 31 and individuals interested in these fields.Chapter “Effects of Liquid Impurity on Laser-Induced Gas Breakdown in Quiescent Gas: Experimental and Numerical Investigations” is available open access under a Creative Commons Attribution 4.0 International License at link.springer.com.

Physical Chemistry of Gas-Liquid Interfaces, the first volume in the Developments in Physical & Theoretical Chemistry series, addresses the physical chemistry of gas transport and reactions across liquid surfaces. Gas–liquid interfaces are all around us, especially within atmospheric systems such as sea spry aerosols, cloud droplets, and the surface of the ocean. Because the reaction environment at liquid surfaces is completely unlike bulk gas or bulk liquid, chemists must readjust their conceptual framework when entering this field. This book provides the necessary background in thermodynamics and computational and experimental techniques for scientists to obtain a thorough understanding of the physical chemistry of liquid surfaces in complex, real-world environments. - 2019 PROSE Awards - Winner: Category: Chemistry and Physics: Association of American Publishers - Provides an interdisciplinary view of the chemical dynamics of liquid surfaces, making the content of specific use to physical chemists and atmospheric scientists - Features 100 figures and illustrations to underscore key concepts and aid in retention for young scientists in industry and graduate students in the classroom - Helps scientists who are transitioning to this field by offering the appropriate thermodynamic background and surveying the current state of research

Computational Quantum Chemistry: Insights into Polymerization Reactions consolidates extensive research results, couples them with computational quantum chemistry (CQC) methods applicable to polymerization reactions, and presents those results systematically. CQC has advanced polymer reaction engineering considerably for the past two decades. The book puts these advances into perspective. It also allows you to access the most up-to-date research and CQC methods applicable to polymerization reactions in a single volume. The content is rigorous yet accessible to graduate students as well as researchers who need a reference of state-of-the-art CQC methods with polymerization applications. - Consolidates more than 10 years of theoretical polymerization reaction research currently scattered across journal articles - Accessibly presents CQC methods applicable to polymerization reactions - Provides researchers with a one-stop source of the latest theoretical developments in polymer reaction engineering

Reaction Rate Theory and Rare Events bridges the historical gap between these subjects because the increasingly multidisciplinary nature of scientific research often requires an understanding of both reaction rate theory and the theory of other rare events. The book discusses collision theory, transition state theory, RRKM theory, catalysis, diffusion limited kinetics, mean first passage times, Kramers theory, Grote-Hynes theory, transition path theory, non-adiabatic reactions, electron transfer, and topics from reaction network analysis. It is an essential reference for students, professors and scientists who use reaction rate theory or the theory of rare events. In addition, the book discusses transition state search algorithms, tunneling corrections, transmission coefficients, microkinetic models, kinetic Monte Carlo, transition path sampling, and importance sampling methods. The unified treatment in this book explains why chemical reactions and other rare events, while having many common theoretical foundations, often require very different computational modeling strategies. - Offers an integrated approach to all simulation theories and reaction network analysis, a unique approach not found elsewhere - Gives algorithms in pseudocode for using molecular simulation and computational chemistry methods in studies of rare events - Uses graphics and explicit examples to explain concepts - Includes problem sets developed and tested in a course range from pen-and-paper theoretical problems, to computational exercises

The field of crystal engineering concerns the design and synthesis of molecular crystals with desired properties. This requires an in-depth understanding of the intermolecular interactions within crystal structures. This new book brings together the latest information and theories about intermolecular bonding, providing an introductory text for graduates. The book is divided into three parts. The first part covers the nature, physical meaning and methods for identification and analysis of intermolecular bonds. The second part explains the different types of bond known to occur in molecular crystals, with each chapter written by a specialist in that specific bond type. The final part discusses the cooperativity effects of different bond types present in one solid. This comprehensive textbook will provide a valuable resource for all students and researchers in the field of crystallography, materials science and supramolecular chemistry.

These proceedings collect the papers presented at the 30th International Symposium on Shock Waves (ISSW30), which was held in Tel-Aviv Israel from July 19 to July 24, 2015. The Symposium was organized by Ortra Ltd. The ISSW30 focused on the state of knowledge of the following areas: Nozzle Flow, Supersonic and Hypersonic Flows with Shocks, Supersonic Jets, Chemical Kinetics, Chemical Reacting Flows, Detonation, Combustion, Ignition, Shock Wave Reflection and Interaction, Shock Wave Interaction with Obstacles, Shock Wave Interaction with Porous Media, Shock Wave Interaction with Granular Media, Shock Wave Interaction with Dusty Media, Plasma, Magnetohyrdrodynamics, Re-entry to Earth Atmosphere, Shock Waves in Rarefied Gases, Shock Waves in Condensed Matter (Solids and Liquids), Shock Waves in Dense Gases, Shock Wave Focusing, Richtmyer-Meshkov Instability, Shock Boundary Layer Interaction, Multiphase Flow, Blast Waves, Facilities, Flow Visualization, and Numerical Methods. The two volumes serve as a reference for the participants of the ISSW30 and anyone interested in these fields.

In this Festschrift dedicated to the late Isaiah Shavitt (1925-2012), selected researchers in theoretical chemistry present research highlights on major developments in the field. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format, as well as a special electronic edition. This volume provides valuable content for all researchers in theoretical chemistry, and will especially benefit those research groups and libraries with limited access to the journal.

Computational methods, and in particular quantum chemistry, have taken the lead in our growing understanding of noncovalent forces, as well as in their categorization. This volume describes the current state of the art in terms of what we now know, and the current questions requiring answers in the future. Topics range from very strong (ionic) to very weak (CH--π) interactions. In the intermediate regime, forces to be considered are H-bonds, particularly CH--O and OH--metal, halogen, chalcogen, pnicogen and tetrel bonds, aromatic stacking, dihydrogen bonds, and those involving radicals. Applications include drug development and predictions of crystal structure.

Fifth volume of a 40 volume series on nanoscience and nanotechnology, edited by the renowned scientist Challa S.S.R. Kumar. This handbook gives a comprehensive overview about X-ray and Neutron Techniques for Nanomaterials Characterization. Modern applications and state-of-the-art techniques are covered and make this volume an essential reading for research scientists in academia and industry.

The aim of this book is to explore the detectable properties of a material to the parameters of bond and non-bond involved and to clarify the interdependence of various properties. This book is composed of four parts; Part I deals with the formation and relaxation dynamics of bond and non-bond during chemisorptions with uncovering of the correlation among the chemical bond, energy band and surface potential barrier (3B) during reactions; Part II is focused on the relaxation of bonds between atoms with fewer neighbors than the ideal in bulk with unraveling of the bond order-length-strength (BOLS) correlation mechanism, which clarifies the nature difference between nanostructures and bulk of the same substance; Part III deals with the relaxation dynamics of bond under heating and compressing with revealing of rules on the temperature-resolved elastic and plastic properties of low-dimensional materials; Part IV is focused on the asymmetric relaxation dynamics of the hydrogen bond (O:H-O) and the anomalous behavior of water and ice under cooling, compressing and clustering. The target audience for this book includes scientists, engineers and practitioners in the area of surface science and nanoscience.

This is the first book to provide an integrated introduction to the nature, formation and occurrence, stability, propagation, and uses of the most common types of colloidal dispersion in the process-related industries. The primary focus is on the applications of the principles, paying attention to practical processes and problems. This is done both as part of the treatment of the fundamentals, where appropriate, and also in the separate sections devoted to specifi c kinds of industries. Throughout, the treatment is integrated, with the principles of colloid and interface science common to each dispersion type presented for each major physical property class, followed by separate treatments of features unique to emulsions, foams, or suspensions. The first half of the book introduces the fundamental principles, introducing readers to suspension formation and stability, characterization, and fl ow properties, emphasizing practical aspects throughout. The following chapters discuss a wide range of industrial applications and examples, serving to emphasize the diff erent methodologies that have been successfully applied. The author assumes no prior knowledge of colloid chemistry and, with its glossary of key terms, complete cross-referencing and indexing, this is a must-have for graduate and professional scientists and engineers who may encounter or use emulsions, foams, or suspensions, or combinations thereof, whether in process design, industrial production, or in related R&D fields.

The reaction rate constant plays an essential role a wide range of processes in biology, chemistry and physics. Calculating the reaction rate constant provides considerable understanding to a reaction and this book presents the latest thinking in modern rate computational theory. The editors have more than 30 years'experience in researching the theoretical computation of chemical reaction rate constants by global dynamics and transition state theories and have brought together a global pool of expertise discussing these in a variety of contexts and across all phases. This thorough treatment of the subject provides an essential handbook to students and researchers entering the field and a comprehensive reference to established practitioners across the sciences, providing better tools to determining reaction rate constants.

The investigative assault upon the enigmatic asphaltenes has recently resulted in sig­ nificant advances in many varied disciplines. Taken individually, each discipline exposes certain facets of asphaltenes, but each, alone, can never reveal asphaltenes from all van­ tages. Even seemingly narrowly focused issues such as the molecular structures of asphal­ tenes, or the colloidal structures of asphaltenes require a confluence of many lines of investigation to yield an understanding which differs from truth by diminishing uncer­ tainty. An holistic treatment of the asphaltenes is a powerful approach to evolve further their understanding. For example, examination of asphaltenes at the highest resolution yields molecular structure. A slight increase in scale probes asphaltene colloidal structure. Weaving together asphaltene studies performed at different length scales results in a fabric which envelops an encompassing vision of asphaltenes. At the same time, the interfaces of these hierarchical studies provide additional constraints on imagination, more than investi­ gations at individual length scales alone. These considerations shaped the timing, format, and the content of our book. The editors are very appreciative of the diligence and hard work manifest in each of the contributed chapters herein. We thank the contributing authors for making this project a success. Oliver C. Mullins Eric Y. Sheu vii CONTENTS I. Asphaltenes: Types and Sources.......................................

Advances in Chemical Engineering was established in 1960 and is the definitive serial in the area. It is one of great importance to organic chemists, polymer chemists, and many biological scientists. Written by established authorities in the field, the comprehensive reviews combine descriptive chemistry and mechanistic insight and yield an understanding of how the chemistry drives the properties. This volume covers the topic of catalysis and kinetics and aspects in chemical engineering. - Control and optimization of process systems - Polyelectrolytes - Propane dehydrogenation and selective oxidation of hydrogen - Chromium catalysts for ethylene polymerization and oligomerization - Computational simulation of rare Earth catalysis

This book presents theoretical studies of electronic structure, optical and spectroscopic properties of a number of compounds such as porphyrins, fullerenes and heteroatomic single-wall nanotubes. The book presents new, faster calculation methods for application in quantum-chemical theory of electronic structures. It addresses issues of practical importance such as the development of materials for photosensitizers, organic LEDs and solar cells.

Heterogeneous catalysis provides the backbone of the world's chemical and oil industries. The innate complexity of practical catalytic systems suggests that useful progress should be achievable by investigating key aspects of catalysis by experimental studies on idealised model systems. Thin films and supported clusters are two promising types of model system that can be used for this purpose, since they mimic important aspects of the properties of practical dispersed catalysts. Similarly, appropriate theoretical studies of chemisorption and surface reaction clusters or extended slab systems can provide valuable information on the factors that underlie bonding and catalytic activity. This volume describes such experimental and theoretical approaches to the surface chemistry and catalytic behaviour of metals, metal oxides and metal/metal oxide systems. An introduction to the principles and main themes of heterogeneous catalysis is followed by detailed accounts of the application of modern experimental and theoretical techniques to fundamental problems. The application of advanced experimental methods is complemented by a full description of theoretical procedures, including Hartree-Fock, density functional and similar techniques. The relative merits of the various approaches are considered and directions for future progress are indicated.

Advances in Polymer Science enjoys a longstanding tradition and good reputation in its community. Each volume is dedicated to a current topic, and each review critically surveys one aspect of that topic, to place it within the context of the volume. The volumes typically summarize the significant developments of the last 5 to 10 years and discuss them critically, presenting selected examples, explaining and illustrating the important principles, and bringing together many important references of primary literature. On that basis, future research directions in the area can be discussed. Advances in Polymer Science volumes thus are important references for every polymer scientist, as well as for other scientists interested in polymer science - as an introduction to a neighboring field, or as a compilation of detailed information for the specialist.

The new, revised and updated 7th edition of March's Advanced Organic Chemistry clearly explains the theories and examples of organic chemistry, providing the most comprehensive resource about organic chemistry available. Readers are guided on planning and execution of multi-step synthetic reactions, with detailed descriptions of all the reactions. The first five chapters deal with the structure of organic compounds and discuss important organic chemistry bonds, fundamental principles of conformation, and stereochemistry of organic molecules, and reactive intermediates in organic chemistry. Chapters 6 to 9 are concerned with general principles of mechanism in organic chemistry, including acids and bases, photochemistry, sonochemistry and microwave irradiation, and finally the relationship between structure and reactivity. The last 10 chapters cover the nature and the scope of organic reactions and their mechanisms. The 7th edition proves again it is a must-have desktop reference and textbook for every student and professional working in organic chemistry or related fields. Key features of the 7th edition: Every chapter has been updated with the most recent reaction information with references to both the primary and review literature New to the 7th edition: 5,500 references since the last edition, updates / rewrites of the retained sections, and an updated index in Appendix B Contains more than 1650 reactions and 20,000 valuable references to the primary literature Includes appendices on the literature of organic chemistry and the classification of reactions according to the compounds synthesized Guides the reader on planning and execution of multi-step synthetic reactions, with detailed descriptions of all the reactions. Reviews of the previous edition:'...a favorite general organic chemistry text and an easy-to-use one-volume reference. We are confident that this book will remain a dominant reference and that it will reside on many chemists'personal bookshelves.'–Journal of Medicinal Chemistry'Who can hope to be seriously accepted as a member of the organic chemistry community without being in possession of at least one edition of'March'?'–Chemistry and Industry

The Advances in Chemical Physics series—the cutting edge of research in chemical physics 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 offers contributions from internationally renowned chemists and serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics. This volume explores: Hydrogen Bond Topology and Proton Ordering in Ice and Water Clusters (Sherwin J. Singer and Chris Knight) Molecular Inner-Shell Spectroscopy, Arpis Technique and Its Applications (Eiji Shigemasa and Nobuhiro Kosugi) Geometric Optimal Control of Simple Quantum Systems: Geometric Optimal Control Theory (Dominique Sugny) Density Matrix Equation for a Bathed Small System and its Application to Molecular Magnets (D. A. Garanin) A Fractional Langevin Equation Approach to Diffusion Magnetic Resonance Imaging (Jennie Cooke)

This book highlights key advances that have occurred in the field of olefin conversion in recent years. The role of homogenous transition metal catalysts which contain an imine functionality is emphasized; their potential applications in the processing and upgrade of olefins to a wide variety of commodity products of very high industrial value is also explored. On the threshold of the fiftieth anniversary of the Noble Prize to Ziegler and Natta, this book gives a critical summary of the state of the art developments in the fascinating and rapidly developing field of the olefin polymerization, oligomerization, and co-polymerization catalysis.

N-Heterocyclic Carbenes in Transition Metal Catalysis and Organocatalysis features all catalytic reactions enabled by N-heterocyclic carbenes (NHCs), either directly as organocatalysts or as ligands for transition metal catalysts. An explosion in the use of NHCs has been reported in the literature during the past seven years making this comprehensive overview highly apropos.The book begins with an introductory overview of NHCs which could have been subtitled all you need to know about NHCs. The main body of the book is dedicated to applications of NHCs in catalysis. In addition to the success stories of NHCs in metathesis, NHCs in cross coupling and more recently NHCs in organocatalysis, all other less publicized areas are also covered. As the success of NHCs is generally attributed to their potential to stabilize metal centres, the inclusion of a chapter on the decomposition of NHC catalysts is pertinent. The book closes with a chapter describing the applications of NHCs in industrial processes, which is the first coverage of its kind, and brings a unique industrial context to this book.Included in this book:Historical aspects of NHCsSynthetic pathways to NHC precursors, free NHCs and complexesMethods of characterisation of NHCs and related complexesElectronic properties of NHCsSteric properties of NHCs and models for their descriptionNHCs for metathesis and cross-coupling reactionsNHCs as organocatalystsNHC Transition-Metal mediated oxidations, additions to multiple bonds, polymerisation and oligomerisation, cyclisations, direct arylations, reactions involving CO, C-F and C-H bond activation, …Decomposition of NHC-containing catalystsIndustrial applications involving NHC-containing catalystsN-Heterocyclic Carbenes in Transition Metal Catalysis and Organocatalysis provides a fresh view of NHCs since most contributors are young emerging researchers in the field of homogeneous catalysis using NHCs. This group of contributors is complemented by highly established academic researchers and an industrialist. This book is comprehensive, from the basic features of NHCs to the latest advances, hence it is suitable for both the novice and the expert.

The Advances in Chemical Physics series presents the cutting edge in every area of the discipline and provides the field with a forum for critical, authoritative evaluations of advances. It provides an editorial framework that makes each volume an excellent supplement to advanced graduate classes, with contributions from experts around the world and a handy glossary for easy reference on new terminology. This series is a wonderful guide for students and professionals in chemical physics and physical chemistry, from academia, government, and industries including chemicals, pharmaceuticals, and polymers.

Superhydrophobic surfaces (water contact angles higher than 150a) can only be achieved by a combination of hydrophobicity (low surface energy materials) with appropriate surface texture. In nature one can find an array of impressive and elegant examples of superhydrophobic surfaces. For example, on a lotus leaf rain drops bounce off after impact,

Catalysis is the acceleration of a chemical reaction by a catalyst, a substance that notably affects the rate of a chemical reaction without itself being consumed or altered. Since 1948, Advances in Catalysis has filled the gap between the papers that report on and the textbooks that teach in the diverse areas of catalysis research. The editors of and contributors to Advances in Catalysis are dedicated to recording progress in this area.• Provides a comprehensive review of all aspects of catalytic research • Contains in-depth, critical, state-of-the-art reports

An integrated approach to the molecular theory of reaction mechanism in heterogeneous catalysis, largely based on the knowledge among the growing theoretical catalysis community over the past half century, and covering all major catalytic systems. The authors develop a general conceptual framework, including in-depth comparisons with enzyme catalysis, biomineralisation, organometallic and coordination chemistry. A chapter dedicated to molecular electrocatalysis addresses the molecular description of reactions at the liquid-solid interphase, while studies range from a quantum-chemical treatment of individual molecular states to dynamic Monte-Carlo simulations, including the full flexibility of the many-particle systems. Complexity in catalysis is explained in chapters on self-organization and self-assembly of catalysts, and other sections are devoted to evolutionary, combinatorial techniques as well as artificial chemistry.

Emulsions and Emulsion Stability, Second Edition provides comprehensive coverage of both theoretical and practical aspects of emulsions. The book presents fundamental concepts and processes in emulsified systems, such as flocculation, coalescence, stability, precipitation, deposition, and the evolution of droplet size distribution.The bo

This volume contains a selection of the papers presented at the 8th Conference on Colloid Chemistry. It was hosted by the Hungarian Chemical Society and organized by Budapest University of Technology and Economics and was held in Keszthely, Hungary in September 2002. A colloidal approach to nano science was one of the main topics of the meeting. It was revealed that the colloid science provides a strong background of the modern material science and nanotechnology. This volume is intended for professionals doing fundamental research or development of industrial applications, who encounter colloid particles, colloid structures, and interface phenomena during their work.

With the recent advent of nanotechnology, research and development in the area of nanostructured materials has gained unprecedented prominence. Novel materials with potentially exciting new applications are being discovered at a much higher rate than ever before. Innovative tools to fabricate, manipulate, characterize and evaluate such materials are being developed and expanded. To keep pace with this extremely rapid growth, it is necessary to take a breath from time to time, to critically assess the current knowledge and provide thoughts for future developments. This book represents one of these moments, as a number of prominent scientists in nanostructured materials join forces to provide insightful reviews of their areas of expertise, thus offering an overall picture of the state-- the art of the field. Nanostructured materials designate an increasing number of materials with designed shapes, surfaces, structures, pore systems, etc. Nanostructured materials with modified surfaces include those whose surfaces have been altered via such techniques as grafting and tethering of organic or organometallic species, or through various deposition procedures including electro, electroless and vapor deposition, or simple adsorption. These materials find important applications in catalysis, separation and environmental remediation. Materials with patterned surfaces, which are essential for the optoelectronics industry, constitute another important class of surface-modified nanostructured materials. Other materials are considered nanostructured because of their composition and internal organization.

The synchrotron light source is becoming widely available, after its evolution from its infancy in the sixties to the present third generation source with insertion devices. It is timely to examine the impact that synchrotron light has made and will continue to make on chemical research. With this objective in mind, the editor of this invaluable book invited contributions from practitioners who are in the forefront of the research. The book summarizes most of the significant developments in the last decade in chemical and related research using synchrotron light. The utilization of the light as a probe as well as an energy source is emphasized.This book is organized into two parts, in order of increasing photon energy. Part I deals with the applications of low energy photons and covers areas such as gas phase photodissociation reactions and dynamics, soft X-ray fluorescence, IR and photoemission analysis of surfaces, spectroscopy of organic and polymeric materials, catalysts, electronic and magnetic materials, and spectromicroscopy. Part II encompasses applications using soft to hard X-rays, including spectroscopy of surface and thin films, XAFS, diffraction and scattering, and several technological applications, namely the microprobe, photoetching and tribology.

Recent results on a wide array of catalytic processes are collected in this volume. The book illustrates the importance of computational modelling in homogeneous catalysis by providing up-to-date reviews of its application to a variety of reactions of industrial interest.

The book is a multi-author survey (in 15 chapters) of the current state of knowledge and recent developments in our understanding of oxide surfaces. The author list includes most of the acknowledged world experts in this field. The material covered includes fundamental theory and experimental studies of the geometrical, vibrational and electronic structure of such surfaces, but with a special emphasis on the chemical properties and associated reactivity. The main focus is on metal oxides but coverage extends from'simple'rocksalt materials such as MgO through to complex transition metal oxides with different valencies.

An examination of the fundamental nature of polyelectrolytes, static and dynamic properties of salt-free and salt-added solutions, and interactions with other charged and neutral species at interfaces with applications to industry and medicine. It applies the Metropolis Monte Carlo simulation to calculate counterion distributions, electric potentia

Quantum mechanics can describe the detailed structure and behavior of matter, from electrons, atoms, and molecules, to the whole universe. It is one of the fields of knowledge that yield extraordinary precessions, limited only by the computational resources available. Among these methods is density functional theory (DFT), which permits one to solve the equations of quantum mechanics more efficiently than with any related method.The present volume represents the most comprehensive summary currently available in density functional theory and its applications in chemistry from atomic physics to molecular dynamics. DFT is currently being used by more than fifty percent of computational chemists.

The present status of Density Functional Theory (DFT), which has evolved as the main technique for the study of matter at the atomistic level, is described in this volume. Knowing the behavior of atoms and molecules provides a sure avenue for the design of new materials with specific features and properties in many areas of science and technology. A technique based on purely first principles allowing large savings in time and money greatly benefits the specialist or designer of new materials.The range of areas where DFT is applied has expanded and continues to do so. Any area where a molecular system is the center of attention can be studied using DFT.The scope of the 22 chapters in this book amply testifies to this.

Contains selected invited papers presented at the 10th International Symposium on Surfactants in Solution held in Caracas, Venezuela. The volume covers phase behaviour of monolayers, contact angle hysteresis, micellar relaxation, micellar catalyzed reactions, polymerization in microemulsions, polymer-surfactant complexation, asphaltenes, and more.