Search

Transport Properties of Polymeric Membranes is an edited collection of papers that covers, in depth, many of the recent technical research accomplishments in transport characteristics through polymers and their applications. Using the transport through polymer membranes method leads to high separation efficiency, low running costs, and simple operating procedures compared to conventional separation methods. This book provides grounding in fundamentals and applications to give you all the information you need on using this method. This book discusses the different types of polymer, their blends, composites, nanocomposites and their applications in the field of liquid, gas and vapor transport. Some topics of note include modern trends and applications of polymer nanocomposites in solvent, vapor and gas transport; fundamentals and measurement techniques for gas and vapor transport in polymers; and transport properties of hydrogels. This handpicked selection of topics, and the combined expertise of contributors from global industry, academia, government and private research organizations, make this book an outstanding reference for anyone involved in the field of polymer membranes. - Presents current trends in the field of transport of liquid, gas and vapor through various polymeric systems - Features case studies focused on industrial applications of membrane technology, along with fundamentals of transport and materials - Helps readers quickly look up a particular technique to learn key points, capabilities and drawbacks

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

Corrosion Engineering: Principles and Solved Problems covers corrosion engineering through an extensive theoretical description of the principles of corrosion theory, passivity and corrosion prevention strategies and design of corrosion protection systems. The book is updated with results published in papers and reviews in the last twenty years. Solved corrosion case studies, corrosion analysis and solved corrosion problems in the book are presented to help the reader to understand the corrosion fundamental principles from thermodynamics and electrochemical kinetics, the mechanism that triggers the corrosion processes at the metal interface and how to control or inhibit the corrosion rates. The book covers the multidisciplinary nature of corrosion engineering through topics from electrochemistry, thermodynamics, mechanical, bioengineering and civil engineering. - Addresses the corrosion theory, passivity, material selections and designs - Covers extensively the corrosion engineering protection strategies - Contains over 500 solved problems, diagrams, case studies and end of chapter problems - Could be used as a text in advanced/graduate corrosion courses as well self-study reference for corrosion engineers

Nanostructured Hexagonal Ferrites: Novel Characteristics and Multifunctional Applications presents the latest advances in hexaferrite nanostructures, which offer reliability, stability, and efficiency in a range of advanced applications. The book begins by introducing the structure, characteristics, fabrication, processing, characterization methods, and composites of hexagonal ferrites in detail. Solid-state chemistry and magnetic, magnetoelectric, multiferroic, and dielectric properties are examined. Subsequent chapters then provide in-depth coverage of the preparation of nanohexaferrites with specific properties for target applications, in areas such as magnetic energy storage, high-frequency devices, microwave devices, stealth technologies, gyromagnetic devices, and wastewater remediation.This is a valuable resource for researchers and advanced students across nanotechnology, polymer science, composite science, chemistry, and materials science and engineering, as well as industrial scientists, engineers, and R&D professionals with an interest in hexaferrites and advanced nanostructures for advanced applications. - Introduces fabrication, characterization, processing, and preparation methods for hexagonal ferrites - Analyzes structure and properties of nanohexaferrites and their suitability in a range of applications - Opens the door to novel utilizations across electronic devices, energy storage, and wastewater remediation

Approx.630 pages - Covers fundamentals of MXene-based hybrid nanostructures, including synthesis and characterization methods - Explores innovative and emerging applications, with a focus on environmental remediation and sensors - Addresses challenges, such as environmental impact and lifecycle, as well as future possibilities

Nanofluids: Advanced Applications and Numerical Simulations combines the mathematical and numerical studies of nanofluids and their application to a range of applications. The book begins by introducing the principles of nanofluids, structures, types, properties, methods and stability. This is followed by a detailed chapter that explains a full range of numerical techniques for the modeling of nanofluids. Subsequent chapters offer in-depth coverage of target areas, including cooling and heating applications, micro-electric and magnetic devices, chemistry and oil recovery, biomedicine, renewable energy, and automotive engineering. Throughout the book, methods for numerical modelling are described in detail, with supporting equations, techniques, and applied examples. This is a valuable resource for advanced students, scientists, engineers, and R&D professionals working with nanofluids, simulation, and numerical methods for advanced applications, as well as researchers across nanotechnology, biomedicine, electronics, energy, chemistry, materials science and mechanical engineering. - Presents numerical methods for modelling of nanofluids in details - Examines stability, magnetic field, electric field, and other effects on behavior and optical properties - Explores cutting-edge applications of nanofluids by numerical methods

Progress in Medicinal Chemistry, Volume 63 highlights new advances in the field, with this new volume presenting interesting chapters written by an international board of authors. Specific chapters in this release include Harnessing conformational drivers in drug design, Recent Advances in the Medicinal Chemistry of Heterobifunctional Derivatives for Protein Homeostasis, and A Decade of Antimalarial Drug Discovery: New Targets, Tools and Molecules. - Provides extended, timely reviews of topics in medicinal chemistry - Contains targets and technologies relevant to the discovery of tomorrow's drugs - Presents analyses of successful drug discovery programs

Hexagonal Boron Nitride: Synthesis, Properties, and Applications offers a comprehensive approach to hexagonal boron nitride (h-BN), covering synthesis, exfoliation, properties, characterization, functionalization, heterostructures, nanocomposites, and modelling and simulation, and guiding the reader towards advanced applications in biomedicine, electronics, energy storage, wastewater treatment, and other areas.The book begins by introducing hexagonal boron nitride, discussing classification, structure, synthesis methods, exfoliation, and functionalization techniques. This is followed by in-depth coverage of properties and characterization, as well as heterostructures and other two-dimensional materials, as well as nanocomposites. The fourth section of the book examines specific target applications, covering a range of cutting-edge areas including micro- and nano-electronics, anti-friction and anti-corrosive coatings, bone tissue engineering, wound healing, nanomedicine, drug delivery, catalysis, water treatment, energy storage and conversion, sensing and bio-sensing, and fire-retardant applications. Finally, computational modelling and simulation, and environmental aspects, are addressed in detail.This is a valuable resource for researchers and advanced students across nanotechnology, materials science, chemistry, environmental science, chemical engineering, biomedicine, electronics, and engineering. In an industrial setting, this book supports scientists, engineers, and R&D professionals with an interest in advanced 2D materials or nanomaterials for advanced applications. - Presents the synthesis, properties, functionalization, and characterization methods for hexagonal boron nitride - Explores novel applications across biomedicine, electronics, energy storage, and water treatment - Addresses key challenges, such as biocompatibility, toxicity, and environmental and health impact

Chemical Theory and Multiscale Simulation in Biomolecules: From Principles to Case Studies helps readers understand what simulation is, what information modeling of biomolecules can provide, and how to compare this information with experiments. Beginning with an introduction to computational theory for modeling, the book goes on to describe how to control the conditions of modeling systems and possible strategies for time-cost savings in computation. Part Two further outlines key methods, with step-by-step guidance supporting readers in studying and practicing simulation processes. Part Three then shows how these theories are controlled and applied in practice, through examples and case studies on varied applications. This book is a practical guide for new learners, supporting them in learning and applying molecular modeling in practice, whilst also providing more experienced readers with the knowledge needed to gain a deep understanding of the theoretical background behind key methods. - Presents computational theory alongside case studies to help readers understand the use of simulation in practice - Includes extensive examples of different types of simulation methods and approaches to result analysis - Provides an overview of the current academic frontier and research challenges, encouraging creativity and directing attention to current problems

Water Treatment Using Engineered Carbon Nanotubes provides complete and detailed information on carbon nanotubes for wastewater treatment, covering preparation, properties, and application. The book begins by introducing the cross-disciplinary fundamentals of pollutants, water treatment, and carbon-based nanomaterials, followed by chapters focusing on the adsorption mechanisms, properties, modelling, and preparation techniques for carbon nanotube-based materials in the context of wastewater treatment. The subsequent sections of the book focus on specific applications of carbon nanotubes in removal of pollutants and as catalysts of co-catalysts for water treatment. Finally, other novel applications, key challenges, and research trends are discussed. This is a valuable resource for researchers and advanced students across nanotechnology, materials science, environmental science, chemical engineering, chemistry, biotechnology, sustainability, and engineering, as well as scientists, engineers, and R&D professionals with an interest in advanced nanomaterials for water treatment and environmental protection. - Explains the synthesis, functionalization, and properties of carbon nanotubes for water treatment - Offers comprehensive coverage of a range of carbon nanotube-based materials and technologies - Addresses key challenges, research trends, and future opportunities in this innovative field

Electrochemical Membrane Technology will have a strong impact on electrochemical and membrane separation research in the future and will contribute significantly to academic training and the well-being of human society. This book will include a comprehensive discussion of SWOT analysis of each electrochemical membrane technology, and the discussion of energy production from electrochemical membrane technologies in a separate chapter. This will be based theoretical and experimental studies on electrochemical membrane technologies and applications. Written for chemical and environmental engineers, professors and other university teachers, research scientists, graduate students, water treatment managers, research institutions, and Research and Development departments of industries involved in sustainable water treatment and coproduction of valuable products from water treatment technologies. - Provides comparative analysis of energy production from electrochemical membrane technologies and a comprehensive analysis of the recent advances in these technologies - Discusses the strengths, weaknesses, opportunities, and threats/challenges (SWOT) of each electrochemical membrane technology - Addresses the importance energy co-production

Nanochemistry: Chemistry of Nanoparticle Formation and Interactions provides an overview of the chemistry aspects of nanoparticle science, including nanoparticle synthesis, chemical properties, stability, applications and self-assembly behavior. The critical concepts discussed in this book represent the necessary toolbox for enabling the rational design of nanoparticle-based materials for target applications. After an introduction to standard analytical techniques used for nanoparticle characterization, four separate chapters cover inorganic, organic, polymer nanoparticles, and carbon nanostructures to highlight the synthetic protocols, structural intricacies, and chemical properties specific to each of these material classes. Finally, physicochemical phenomena governing self-assembly behavior of nanoparticles are also discussed in detail separately. This book is intended for senior undergraduate, graduate and postgraduate students and research scientists in nanoscience and nanotechnology, material science, chemistry, physics, biomedical sciences and relevant engineering fields that want to develop a deeper understanding of the governing chemical principles on the nanoscale. - Provides an up-to-date text reflecting the latest changes in the field, acting as a fully restructured successor text to Nanochemistry, 2nd Edition (Elsevier, 2013) by Klabunde and Sergeev - Leads the reader through the fundamental concepts and illustrative examples of inorganic, organic, and polymer nanoparticle formation, discussing, in detail, the aspects of synthetic geometry control, surface chemistry, and nanoparticle stability - Provides in-depth coverage of nanoparticle self-assembly behavior, including the self-assembly driving forces and approaches to control this process through nanoparticle design and environmental cues

Supramolecular Coordination Complexes: Design, Synthesis, and Applications discusses the growth of the field and explores the advantages, opportunities and latest applications of supramolecular complexes. Beginning with an introduction to design principles, synthetic methods, and post-synthetic functionalization of supramolecular complexes, the book goes on to compile the different analytical and computational modeling methods used to understand the structure and functional properties of supramolecular structures. Applications of supramolecular complexes in biomedicine, sensing, catalysis and materials are then explored in detail. Drawing on the knowledge of a global team of experts, this book provides a wealth of interesting information for students and researchers working in the design, synthesis or application of such complexes. - Discusses cutting-edge approaches for the investigation of supramolecular coordination chemistry - Summarizes a varied range of supramolecular coordination, complex designs and applications - Highlights the interdisciplinary connections between supramolecular chemistry and the fields of biology and materials science

Advanced Materials for Electrochemical Devices discusses the electrochemical basis and application research of various advanced materials of electrochemical devices in the most fundamental perspectives of thermodynamic properties and dynamic behaviors starting from the perspective of material preparation methods. More importantly, the latest scientific research results for each kind of advanced material are also combined to further understand the nature of the materials. Finally, the prediction and evaluation of battery performances as well as the application technologies of various devices are summarized. This book is divided into four parts to comprehensively and systematically describe the related contents of energy storage materials: Preparation and Electrochemical Fundamentals of Energy Storage Materials (Part I), Electrode Materials of Electrochemical Devices (Part II), Electrolyte and Separator Materials of Electrochemical Devices (Part III), Performance Prediction and Application Technology of Electrochemical Devices (Part IV). - Includes high academic level, wide coverage that is timeless - Effectively promotes the development of high-performance devices and industries - Provides beginners with the basic knowledge of materials science and electrochemistry, showing them the necessary experimental means for material preparation - Serves as a handbook for energy storage material researchers to provide them with appropriate theoretical support and details

Encyclopedia of Solid-Liquid Interfaces is designed to provide a comprehensive overview of macroscopic phenomena at solid-liquid interfaces, e.g. in physics, chemistry, geology, biology and technology, and to describe the methodological approaches and strategies to gain microscopic insight into the underlying properties and processes on the atomic/molecular level. Covering an area of chemistry that plays a fundamental role in nature and technology, the book compiles all relevant features of the field into a'one-stop'reference source that will be relevant to a wide range of interdisciplinary scientists, researchers and academics. Encompassing 155 chapters by renowned experts, and led by leading names in the field, the contents will be organized over 3volumes. - Provides information on solid Liquid Interfaces that no other resource covers - Includes a comprehensive and interdisciplinary overview on current understanding of the ubiquitous phenomena at Solid-Liquid Interfaces in its full interdisciplinary breadth between physics, chemistry, biology and geology - Ideal resource to use in teaching, research and development that requires inputs on solid-liquid interfaces - Presents an up-to-date accounting of the experimental and theoretical research of solid-liquid interfaces at the atomic/molecular level as provided by expert authors

Ionic liquids and Their Application in Green Chemistry covers the synthesis and characterization of a broad range of ionic liquids (ILs) and their polymers, along with their application in multiple areas for nanomaterials and environmental sustainability. The book provides reference material for future research in IL-based technologies for environmental and energy applications. It covers not only the conventional IL applications. but also advanced IL polymer-based materials and their application in energy storage and energy generator applications. Finally, the book discusses the major fields of application of IL-based materials in synthesis of nanomaterials and the role in graphene synthesis and its composites. Written by eminent scholars and leading experts from around the world, this book brings the literature up to date on the most recent progress in the field of IL based materials and their applications for the environmental sustainability. - Covers a broad area of applications, discussing the combination of materials and green chemistry, along with ILs - Provides complete information on the relationship between IL-based nanocomposites and their application in energy harvesting - Presents detailed case studies to help readers understand all the pros and cons of using these materials in their future research

Atomic Clusters with Unusual Structure, Bonding and Reactivity: Theoretical Approaches, Computational Assessment and Applications reviews the latest computational tools and approaches available for accurately assessing the properties of a cluster, while also highlighting how such clusters can be adapted and utilized for the development of novel materials and applications. Sections provide an introduction to the computational methods used to obtain global minima for clusters and effectively analyze bonds, outline experimental approaches to produce clusters, discuss specific applications, and explore cluster reactivity and usage across a number of fields.Drawing on the knowledge of its expert editors and contributors, this book provides a detailed guide to ascertaining the stability, bonding and properties of atomic clusters. Atomic clusters, which exhibit unusual properties, offer huge potential as building blocks for new materials and novel applications, but understanding their properties, stability and bonding is essential in order to accurately understand, characterize and manipulate them for further use. Searching for the most stable geometry of a given cluster is difficult and becomes even more so for clusters of medium and large sizes, where the number of possible isomers sharply increase, hence this book provides a unique and comprehensive approach to the topic and available techniques and applications. - Introduces readers to the vast structural and bonding diversity that clusters show and reflects on their potential for novel application and material development - Highlights the latest computational methods and theoretical tools available for identification of the most stable isomers and accurate analysis of bonding in the clusters - Focuses on clusters which violate the rules established in traditional chemistry and exhibit unusual structure, bonding and reactivity

Encyclopedia of Nanomaterials, Three Volume Set provides a comprehensive reference work on the creation, characterization, property and processing of nanomaterials. Sections cover the synthesis, functionalization, assembly and characterization of nanomaterials, their chemical, physical and biological properties, their processing in the form of coating, special texture and surface patterns, nanodevice fabrication, large-scale manufacturing, and their health and environmental impacts. Focusing on the fundamental concepts of nanomaterials and the key processes to understand, manipulate, and process them, this reference gives readers the ability to design and produce nanomaterials according to the requirements of their specific applications. Further, this encyclopedia includes sections that specifically discuss the large-scale manufacture of nanomaterials and the possible environmental and health impacts of their widespread use in many practical settings. It is written for graduate students and researchers in various fields, including biomedicine, pharmaceutical industry, energy, environmental science, catalysis, etc. - Provides a one-stop resource for researchers with its comprehensive coverage of foundational information on nanomaterials - Presents a systematic and detailed introduction of a subtopic of nanomaterials - Emphasizes fundamental concepts rather than describing specific applications - Includes topics important for practical applications such as large-scale manufacturing, film processing, and possible environmental and health impacts

Comprehensive Computational Chemistry stands as an authoritative publication, comprising over 150 chapters that encompass the entire spectrum of the field. It delves into the foundational principles of theoretical methods, the development of algorithms and software packages, and their extensive applications in various domains, including atmospheric chemistry, biochemistry, materials science, and medicinal chemistry.Edited by a team of world-renowned scientists, this four-volume set covers everything from the theoretical foundations of quantum chemistry to the intricacies of modeling chemical reactions, exploring excited electronic states, and delving into the dynamics of molecular systems. It also sheds light on the critical role of computational chemistry in understanding and designing highly specific and efficient catalysts for various applications.Whether you are entering the field, an accomplished scientist, or an ambitious undergraduate student,'Comprehensive Computational Chemistry'is an invaluable resource for navigating the ever-evolving landscape of computational chemistry.Computational chemistry is a rapidly evolving discipline with growing relevance in various scientific domains. This groundbreaking reference resource is poised to shape the trajectory of the field and push its boundaries into uncharted territories. - Offers readers a'one-stop', comprehensive resource for access to a wealth of information to fully support their research and activities in this area. - Provides an excellent overview of the field - Presents contemporary information that covers theoretical and computational chemistry

As the demands for cleaner, more efficient, reduced and zero carbon emitting transportation increase, the traditional focus of Combustion Chemistry research is stretching and adapting to help provide solutions to these contemporary issues. Combustion Chemistry and the Carbon Neutral Future: What will the Next 25 Years of Research Require? presents a guide to current research in the field and an exploration of possible future steps as we move towards cleaner, greener and reduced carbon combustion chemistry. Beginning with a discussion of engine emissions and soot, the book goes on to discuss a range of alternative fuels, including hydrogen, ammonia, small alcohols and other bio-oxygenates, natural gas, syngas and synthesized hydrocarbon fuels. Methods for predicting and improving efficiency and sustainability, such as low temperature and catalytic combustion, chemical looping, supercritical fluid combustion, and diagnostic monitoring even at high pressure, are then explored. Some novel aspects of biomass derived aviation fuels and combustion synthesis are also covered. Combining the knowledge and experience of an interdisciplinary team of experts in the field, Combustion Chemistry and the Carbon Neutral Future: What will the Next 25 Years of Research Require? is an insightful guide to current and future focus areas for combustion chemistry researchers in line with the transition to greener, cleaner technologies. - Provides insight on current developments in combustion chemistry as a tool for supporting a reduced-carbon future - Reviews modeling and diagnostic tools, in addition to key approaches and alternative fuels - Includes projections for the future from leaders in the field, pointing current and prospective researchers to potentially fruitful areas for exploration

Carbon Dots in Analytical Chemistry: Detection and Imaging explores recent progress in the field of carbon dots synthesis and properties and their integration with various miniaturized analytical devices for the detection of chemical species and imaging of cells. This book is dedicated to exploring the potential applications of carbon dots in analytical chemistry for clinical microbiology, pharmaceutical analysis and environmental analysis. Sections cover synthetic approaches and properties, sample preparation, analytical techniques for the detection of chemical species, imaging of molecules and cells, and analytical tools for biomedical and food analysis. The will be a valuable book for analytical and materials scientists, physical and chemical scientists, and engineers investigating the use of carbon nanomaterials in their analytical procedures. - Provides basic knowledge on the preparation and properties of carbon dots and their uses to remove toxic chemical species - Integrates knowledge from the fabrication, mechanics, materials science and reliability points-of-view - Covers carbon-dot-based optical methods for assaying trace-level target analytes

Photochemistry and Photophysics of Coordination Compounds: Fundamentals and Applications provides a systematic overview of the photochemical and photophysical properties of coordination compounds with different metal cores. Beginning with a clear introduction to the fundamentals of both photochemistry and coordination chemistry, the book goes on to outline the photochemical and photophysical properties of a large range of coordination compounds, clustering metal cores together in chapters according to their period table group, ranging across Transition metals, Lanthanides and Actinides. In addition to outlining their properties, each chapter discusses the synthesis, current applications and future potential of coordination compounds in each group.Drawing on the experience of a global team of experts, this book is an authoritative guide for all those interested in understanding and harnessing the photochemical properties and potential applications of coordination complexes for their own work. - Introduces the fundamentals of both photochemistry and coordination compounds - Supports learning through carefully structured content, with chapters uniquely arranged by period table group - Bridges the knowledge gap between theory and practice by presenting application examples in each chapter

Computational approaches offer researchers unique insights into the structure, characteristics, and properties of macromolecules. However, with applications across a broad range of areas, various methods have been developed for exploring macromolecules in in silico; therefore, it can be difficult for researchers to select the most appropriate method for their specific needs. Covering both biopolymers and synthetic polymers, In-Silico Approaches to Macromolecular Chemistry familiarizes readers with the theoretical tools and software appropriate for such studies. In addition to providing essential background knowledge on both computational tools and macromolecules, the book presents in-depth studies of in silico macromolecule chemistry, discusses and compares these with experimental studies, and highlights the future potential for such approaches. Written by specialists in their respective fields, this book helps students, researchers, and industry professionals gain a clear overview of the field, and furnishes them with the knowledge needed to understand and select the most appropriate tools for conducting and analyzing computational studies. - Highlights in silico studies of both bio and synthetic macromolecules in one book - Supports both learners and experts though a combination of detailed guidance and perspectives on the future potential for in silico approaches to macromolecules - Familiarizes readers with theoretical tools and software helping them select the best approach for their specific needs

The growth of technology for chemical assessment has led to great developments in the investigation of chemical reactivity in recent years, but key information is often dispersed across many different research fields. Exploring both traditional and advanced methods, Chemical Reactivity, Volume 2: Approaches and Applications present the latest approaches and strategies for the computational assessment of chemical reactivity.Following an insightful introduction, the book begins with an overview of conformer searching techniques before progressing to explore numerous different techniques and methods, including confined environments, quantum similarity descriptors, volume-based thermodynamics and polarizability. A unified approach to the rules of aromaticity is followed by methods for assessing interaction energies and the role of electron density for varied different analyses. Algorithms for confirmer searching, partitioning and a whole range of quantum chemical methods are also discussed.Consolidating the knowledge of a global team of experts in the field, Chemical Reactivity, Volume 2: Approaches and Applications is a useful resource for both students and researchers interested in applying and refining their use of the latest approaches for assessing chemical reactivity in their own work. - Compiles a broad range of contemporary methods and approaches for reactivity and structure prediction - Highlights the application of chemical reactivity strategies for the investigation of such areas as aromaticity, halogen bonds, and electronic materials - Includes discussion of computational tools for exploring molecular spaces from different angles, including　interaction energies, quantum similarity, and electron density

The growth of technology for chemical assessment has led to great developments in the investigation of chemical reactivity in recent years, but key information is often dispersed across many different research fields. Combining both original principles and the cutting-edge theories used in chemical reactivity analysis, Chemical Reactivity, Volume 1 present the latest developments in theoretical chemistry and its application for the assessment of chemical processes.Beginning with an exploration of different theories and principles relating to electronic structure and reactivity of confined electronic systems, the book goes on to highlight key information on such topics as Dyson orbitals, target-ion overlaps, reaction fragility, magnetizability principles and the Fuki function. Density Functional Theory is discussed in relation to numerous different principles and approaches, with further information on constrained methods and diabatic models, bonding evolution theory, orbital-based population analysis models and charge transfer models, and Quantum chemistry and QTAIM.Consolidating the knowledge of a global team of experts in the field, Chemical Reactivity, Volume 1: Theories and Principles is a useful resource for both students and researchers interested in gaining greater understanding of the principles and theories underpinning chemical reactivity analysis. - Provides readers with the key information needed to gain a good overview of contemporary chemical reactivity studies and a clear understanding of the theory behind state-of-the-art methods in the field - Highlights advances in the computational descriptions of reactivity, including reactivity in confined environments, conceptual density functional theory, and multi-reference quantum chemistry - Provides comprehensive coverage by consolidating the knowledge of many well-known researchers in the field from around the world

Atomically precise metal nanoclusters occupy the gap between discrete atoms and plasmonic nanomaterials, and they offer intriguing physical-chemical properties that can be rationalized in terms of their quantum size effects and discrete electronic states. The atomically precise nature of their structures lends them well to structure-property relationship elucidation, making them particularly useful for informing the rational design of nanoclusters with enhanced performance. Metal Nanocluster Chemistry: Ligand-Protected Metal Nanoclusters With Atomic Precision provides a concise introduction to the study of these useful nanoclusters. Beginning with an introduction to the fundamental concepts of, and prospects for, metal nanoclusters, the book goes on to highlight synthetic methods for controllable preparation. The subsequent chapters then highlight characterization, mechanism of size growth and structure evolution, and physical-chemical properties. Later chapters examine theoretical approaches for calculating and evaluating structures and properties. They also highlight the assembly of nanocluster building blocks and their practical applications. Drawing on the knowledge of its expert author, Metal Nanocluster Chemistry is a useful introductory guide to these exciting structures. - Provides a concise introduction to atomically-precise metal nanoclusters, ranging from characterization and property investigation to applications - Includes insight into both current trends and future potential, encouraging and supporting further development - Holistically combines physical approaches with theoretical calculation methods

Molecular simulation allows researchers unique insight into the structures and interactions at play in fluids. Since publication of the first edition of Molecular Simulation of Fluids, novel developments in theory, algorithms and computer hardware have generated enormous growth in simulation capabilities. This 2nd edition has been fully updated and expanded to highlight this recent progress, encompassing both Monte Carlo and molecular dynamic techniques, and providing details of theory, algorithms and both serial and parallel implementations. Beginning with a clear introduction and review of theoretical foundations, the book goes on to explore intermolecular potentials before discussing the calculation of molecular interactions in more detail. Monte Carlo simulation and integrators for molecular dynamics are then discussed further, followed by non-equilibrium molecular dynamics and molecular simulation of ensembles and phase equilibria. The use of object-orientation is examined in detail, with working examples coded in C++. Finally, practical parallel simulation algorithms are discussed using both MPI and GPUs, with the latter coded in CUDA. Drawing on the extensive experience of its expert author, Molecular Simulation of Fluids: Theory, Algorithms, Object-Orientation, and Parallel Computing 2nd Edition is a practical, accessible guide to this complex topic for all those currently using, or interested in using, molecular simulation to study fluids. - Fully updated and revised to reflect advances in the field, including new chapters on intermolecular potentials and parallel algorithms - Covers the application of both MPI and GPU programming to molecular simulation - Covers a wide range of simulation topics using both Monte Carlo and molecular dynamics approaches - Provides access to downloadable simulation code, including GPU code using CUDA, to encourage practice and support learning

The results obtained from kinetic studies on reactions in solids often depend on numerous factors. Therefore, it is important for researchers to understand how both chemical factors related to composition and procedural choices may influence outcomes. Dynamic Processes in Solids provides an authoritative overview of reactions in solids and helps readers interpret the results obtained from kinetic studies. In chapters written by active researchers, the reader will learn about choosing appropriate experimental techniques and their limitations for studying various types of reactions. Beginning with an introduction to numerous aspects of rate processes in solids and experimental techniques, information is provided on rate laws, factors affecting rates, diffusion, and sintering. Subsequent chapters deal with electrical conductivity in dispersed phase polymers, thermochemical reactions for producing solid materials, reactions in coordination compounds, dynamic observations on plastic deformation, light driven phenomena in quantum materials, decomposition of perovskite photovoltaic compounds, and reaction of oxygen radicals with surfaces. This book is a practical introduction to the field for chemists and researchers whose work is directly related to dynamic changes in solids, and additionally for those in related fields whose work would be enhanced by an understanding of these types of rate processes. - Presents useful discussions of the applications of several experimental techniques - Describes approaches for synthesis of solid materials by thermochemical reactions - Presents theoretical interpretation structural dynamics and processes at the molecular level in solids - Provides information on the relationships between performance and rate processes in several types of materials related to electronic behavior

Density Matrix Renormalization Group (DMRG)-based Approaches in Computational Chemistry outlines important theories and algorithms of DMRG-based approaches and explores their use in computational chemistry. Beginning with an introduction to DMRG and DMRG-based approaches, the book goes on to discuss the key theories and applications of DMRG, from DMRG for semi-empirical and ab-initio quantum chemistry, to DMRG in embedded environments, frequency spaces and quantum dynamics. Drawing on the experience of its expert authors, sections detail recent ideas and key developments, providing an up-to-date view of current developments in the field for students and researchers in quantum chemistry. - Provides an expertly-curated, consolidated overview of research in the field - Includes exercises that support learning and link theory to practice - Outlines key theories and algorithms for computational chemistry applications

Organochalcogen compounds reviews the state of the art in new green protocols involving organochalcogen compounds (Se, S, and Te), including the use of nonconventional reaction media, alternative solvents, and solvent-free protocols to prepare these important compounds. Bringing together several leading researchers in organochalcogen chemistry, it provides an authoritative overview of the current state of the field and compiles recent advances in methodologies for the application of green chemistry principles in compound development. These include the use of organochalcogen compounds as intermediates, catalysts, or target products across a range of applications. The recent developments outlined in in the book reflect the efforts of the researchers in this area to move toward a more sustainable chemistry, giving the book the dual benefit of highlighting the latest developments in the field while also showing how the principles of green chemistry can effectively be included in active research projects. Thus it is a valuable reference for chemists, particularly those working in organic, green, and synthetic chemistry across both academia and industry. - Highlights green synthetic methods with potential application in the synthesis of natural compounds or other biologically active scaffolds - Explores the chemical modification of natural compounds by insertion of organochalcogen groups for the preparation of boosted bioactive semisynthetic molecules - Discuss how redox catalysis and catalysis in flow conditions using eco-friendly oxidant can provide new opportunities for the synthesis of linear ad cyclic derivatives

Properties and Functionalization of Graphene: Computational Chemistry Approaches, Volume 21 shows how computational chemistry can be used to explore molecular interactions when modeling and manipulating graphene's properties for varied applications. Sections compare results and experimental evidence, cover the experimental techniques employed in the functionalization of graphene and associated challenges, and delve into the properties of functionalized graphene. Under the guidance of its expert editor, this book shares insights from a global team of specialists, making it an authoritative, practical guide for all those studying, developing or applying graphene across a whole range of fields. - Provides practical insights into the latest computational approaches used in modeling the properties of functionalized graphene - Includes detailed methods and step-by-step guidance on key processes that are supported throughout with examples - Highlights the electronic properties of functionalized graphene

Quantum chemistry is simulating atomistic systems according to the laws of quantum mechanics, and such simulations are essential for our understanding of the world and for technological progress. Machine learning revolutionizes quantum chemistry by increasing simulation speed and accuracy and obtaining new insights. However, for nonspecialists, learning about this vast field is a formidable challenge. Quantum Chemistry in the Age of Machine Learning covers this exciting field in detail, ranging from basic concepts to comprehensive methodological details to providing detailed codes and hands-on tutorials. Such an approach helps readers get a quick overview of existing techniques and provides an opportunity to learn the intricacies and inner workings of state-of-the-art methods. The book describes the underlying concepts of machine learning and quantum chemistry, machine learning potentials and learning of other quantum chemical properties, machine learning-improved quantum chemical methods, analysis of Big Data from simulations, and materials design with machine learning. Drawing on the expertise of a team of specialist contributors, this book serves as a valuable guide for both aspiring beginners and specialists in this exciting field. - Compiles advances of machine learning in quantum chemistry across different areas into a single resource - Provides insights into the underlying concepts of machine learning techniques that are relevant to quantum chemistry - Describes, in detail, the current state-of-the-art machine learning-based methods in quantum chemistry

Surface Modified Nanomaterials for Applications in Catalysis: Fundamentals, Methods and Applications provides an overview of the different state-of-the-art surface modification methods of nanomaterials and their commercial applications. The main objective of this book is to comprehensively cover the modification of nanomaterial and their fabrication, including different techniques and discussions of present and emerging commercial applications. The book addresses fundamental chemistry concepts as applied to the modification of nanomaterials for applications in energy, catalysis, water remediation, sensors, and more. Characterization and fabrication methodologies are reviewed, along with the challenges of up-scaling of processes for commercial applications. This book is suitable for academics and practitioners working in materials science, engineering, nanotechnology, green chemistry and chemical engineering. - Provides an overview of the basic principles of surface modification of nanomaterials - Reviews useful fabrication and characterization methodologies for key applications - Addresses surface modified nanomaterials for applications in catalysis, energy, sensor, environment, and more

Quantum Dots: Fundamentals, Synthesis and Applications compiles key information, along with practical guidance on quantum dot synthesis and applications. Beginning with an introduction, Part One highlights such foundational knowledge as growth mechanisms, shape and composition, electrochemical properties, and production scale-up for quantum dots. Part Two goes on to provide practical guides to key chemical, physical and biological methods for the synthesis of quantum dots, with Part Three reviewing the application of quantum dots and a range of important use cases, including photocatalysis, energy cells and medical imaging. Drawing on the knowledge of its expert authors, this comprehensive book provides practical guidance for all those who already study, develop or use quantum dots in their work. - Presents the foundational information needed to effectively understand and manipulate quantum dot properties - Consolidates key methods of quantum dot synthesis in a single volume - Reviews both current and future practical applications of quantum dots across a range of important fields

Chemistry at the Frontier with Physics and Computer Science: Theory and Computation shows how chemical concepts relate to their physical counterparts and can be effectively explored via computational tools. It provides a holistic overview of the intersection of these fields and offers practical examples on how to solve a chemical problem from a theoretical and computational perspective, going from theory to models, methods and implementation. Sections cover both sides of the Born-Oppenheimer approximation (nuclear dynamics and electronic structure), chemical reactions, chemical bonding, and cover theory to practice on three related physical problems (wavepacket dynamics, Hartree-Fock equations and electron-cloud redistribution). Drawing on the interdisciplinary knowledge of its expert author, this book provides a contemporary guide to theoretical and computational chemistry for all those working in chemical physics, physical chemistry and related fields. - Combines a'big picture'overview of chemistry as it relates to physics and computer science, including detailed guidance on tackling chemistry problems from both theoretical and computational perspectives - Treats nuclear dynamics and electronic structure on the same footing in discussions of the Born-Oppenheimer approximation - Includes examples of scientific programming in modern Fortran for problems related to the modeling of chemical reaction dynamics and the analysis of chemical bonding

Computational and Data-Driven Chemistry Using Artificial Intelligence: Volume 1: Fundamentals, Methods and Applications highlights fundamental knowledge and current developments in the field, giving readers insight into how these tools can be harnessed to enhance their own work. Offering the ability to process large or complex data-sets, compare molecular characteristics and behaviors, and help researchers design or identify new structures, Artificial Intelligence (AI) holds huge potential to revolutionize the future of chemistry. Volume 1 explores the fundamental knowledge and current methods being used to apply AI across a whole host of chemistry applications. Drawing on the knowledge of its expert team of global contributors, the book offers fascinating insight into this rapidly developing field and serves as a great resource for all those interested in exploring the opportunities afforded by the intersection of chemistry and AI in their own work. Part 1 provides foundational information on AI in chemistry, with an introduction to the field and guidance on database usage and statistical analysis to help support newcomers to the field. Part 2 then goes on to discuss approaches currently used to address problems in broad areas such as computational and theoretical chemistry; materials, synthetic and medicinal chemistry; crystallography, analytical chemistry, and spectroscopy. Finally, potential future trends in the field are discussed. - Provides an accessible introduction to the current state and future possibilities for AI in chemistry - Explores how computational chemistry methods and approaches can both enhance and be enhanced by AI - Highlights the interdisciplinary and broad applicability of AI tools across a wide range of chemistry fields

Shock Compression and Chemical Reaction of Multifunctional Energetic Structural Materials provides an exhaustive overview of the mechanics, kinetics and physio-chemical behavior caused by shock-induced reaction and shock compression on multifunctional energetic structural materials (MESMs). The book covers foundational knowledge on shock waves and Equation of State (EOS), shock parameters, reaction kinetics, impedance matching, and more. In addition, it looks at more advanced subjects such as experimental analysis methods, numerical modeling techniques (from quasi-static to high-strain rates, including void collapse models), how EOS changes when reaction and detonation are involved, and more. Final chapters cover how to obtain EOS curves from experiments and various testing methods and numerical models for non-reactive porous solids and particulate composites, including 1-D reactive flow models. Flyer plate impact experiments are also discussed, as are the applications of hydrocodes and Lagrangian-framework-based methods. - Provides an ideal balance of modeling concepts and experimental techniques - Looks at mechanical testing processes of MESMs - Outlines sample preparation, testing of samples, obtaining EOS from the testing, and using EOS for simulation - Covers modeling for pore collapse, constituent material, and at a granular level

Atomically Precise Metal Nanoclusters discusses the host of exciting properties that can be better harnessed with a solid understanding of their different structures and subsequent properties at the molecular level. The book delves into the foundational chemistry of numerous key atomically precise clusters and provides guidance on key approaches employed to examine them. Beginning with an introduction to the properties and fundamental nano-chemistry of atomically precise metal nanoclusters, the book then explores key approaches for their synthesis, examination and modification, including chromatography, mass spectrometry, single crystal diffraction, electron microscopy and computational approaches. A final section covers specific nanoclusters and cluster systems. User will find the important knowledge of an experienced team of contributors who provide a detailed guide to understanding, investigating and utilizing these useful structures that is ideal for anyone working in related fields. Presents a comprehensive guide that combines key knowledge, approaches and other types of metal nanocluster Supports an understanding of important interactions and approaches using clear figures Highlights future needs and prospects in the field

Rare-Earth-Activated Phosphors: Chemistry and Applications outlines important fundamentals and properties and explores successful application that address key problems across the sciences. Sections introduce phosphors and luminescence, explore their properties, characteristics, synthesis and degradation and highlight key applications across telecommunications, lighting, electroluminescent devices, (bio-)analytical sensors, bio-imaging set-ups, drug delivery and sustainable energy devices. Drawing on the knowledge of an expert team of contributors, the book provides useful insight into successfully harnessing the properties of rare earth activated phosphors for a range of important applications.Rare-earth nano-phosphors offer an interesting array of characteristics, including sharp emission bands, exceptional optical damage thresholds, low toxicity, high selectivity and stability, and long luminescence lifetimes. Understanding these properties can help researchers effectively manipulate them for a range of important applications. - Provides a good introduction to the useful properties and characteristics of rare earth activated phosphors - Analyzes the use of rare earth activated phosphors for a broad variety of important applications, bridging the gap between theory and application - Encourages further discourse and development for improving the energy-efficiency of devices based on rare earth activated phosphors

Advances in Quantum Chemical Topology Beyond QTAIM provides a complete overview of the field, starting with traditional methods and then covering key steps to the latest state-of-the-art extensions of QTAIM. The book supports researchers by compiling and reviewing key methods, comparing different algorithms, and providing computational results to show the efficacy of the approaches. Beginning with an introduction to quantum chemistry, QTAIM and key extensions, the book goes on to discuss interacting quantum atoms and related energy properties, explores partitioning methods, and compares algorithms for QTAIM. Partitioning schemes are them compared in more detail before applications are explored and future developments discussed. Drawing together the knowledge of key authorities in the area, this book provides a comprehensive, pedogeological guide to this insightful theory for all those interested in modelling, exploring and understanding molecular properties. - Provides a contemporary review of the extensions and application of QTAIM methods - Compiles all extensions of QTAIM in one place for easy reference - Includes a chapter with an Introduction to Quantum Chemistry - Presents complex information at a level accessible to those engaged in theoretical/computational chemistry

Machine Learning and Pattern Recognition Methods in Chemistry from Multivariate and Data Driven Modeling outlines key knowledge in this area, combining critical introductory approaches with the latest advanced techniques. Beginning with an introduction of univariate and multivariate statistical analysis, the book then explores multivariate calibration and validation methods. Soft modeling in chemical data analysis, hyperspectral data analysis, and autoencoder applications in analytical chemistry are then discussed, providing useful examples of the techniques in chemistry applications. Drawing on the knowledge of a global team of researchers, this book will be a helpful guide for chemists interested in developing their skills in multivariate data and error analysis. - Provides an introductory overview of statistical methods for the analysis and interpretation of chemical data - Discusses the use of machine learning for recognizing patterns in multidimensional chemical data - Identifies common sources of multivariate errors

Radioactivity: History, Science, Vital Uses and Ominous Peril, Third Edition provides an introduction to radioactivity, the building blocks of matter, the fundamental forces in nature, and the role of quarks and force carrier particles. This new edition adds material on the dichotomy between the peaceful applications of radioactivity and the threat to the continued existence of human life from the potential use of more powerful and sophisticated nuclear weapons. The book includes a current review of studies on the probability of nuclear war and treaties, nonproliferation and disarmament, along with historical insights into the achievements of over 100 pioneers and Nobel Laureates. Through multiple worked examples, the book answers many questions for the student, teacher and practitioner as to the origins, properties and practical applications of radioactivity in fields such as medicine, biological and environmental research, industry, safe nuclear power free of greenhouse gases and nuclear fusion. Ratings and Reviews of Previous Editions: CHOICE Magazine, July 2008:'This work provides an overview of the many interesting aspects of the science of radioactive decays, including in-depth chapters that offer reminiscences on the history and important personalities of the field...This book can be useful as supplemental reading or as a reference when developing course material for nuclear physics, nuclear engineering, or health physics lectures. Special attention　has been given to a chapter on the role radioactivity plays in everyday　life applications...Generally the book is well produced and will be a valuable resource...Many lectures can be lightened up by including material from this work. Summing up: RECOMMENDED. Upper division undergraduates through professionals; technical program students.'U. Greife, Colorado School of Mines, USA'I found the biographical accounts of the various stalwarts of Physics inspirational. Most of them, if not all, had to overcome economic hardships or p[ersonal tragedies or had to do their groundbreaking　work in the face of tyranny and war. The biographies also highlighted the high standards of moral convictions that the scientists had as they realized the grave implications of some of their work and the potential threats to humanity. This ought to inspire and motivate young men and women aspiring to be physicists. Even people who have been in the field for a while should find your book re-energizing. It certainly had that effect on me.'-- Dr. Ramkumar Venkataraman, Canberra Industries, Inc., Meriden, CT, USA Winner of an Honorable Mention in the 2017 PROSE Awards in the category of Chemistry and Physics (https://proseawards.com/winners/2017-award-winners/) - Includes new content that explains the vital benefits that nuclear technology provides and the need to be aware and involved in worldwide efforts toward the reduction of nuclear weapon stockpiles and the elimination of the threat of nuclear weapons - Provides context and insights on key research over the past three centuries, placing radioactivity in real-world contexts - Supports learning via multiple solved problems that answer practical questions concerning nuclear decay, nuclear radiation and the interaction of nuclear radiation with matter

Aggregation-Induced Emission (AIE): A Practical Guide introduces readers to the topic, guiding them through fundamental concepts and the latest advances in applications. The book covers concepts, principles and working mechanisms of AIE in AIE-active luminogens, with different classes of AIE luminogens reviewed, including polymers, three-dimensional frameworks (MOFs and COFs) and supramolecular gels. Special focus is given to the structure-property relationship, structural design strategies, targeted properties and application performance. The book provides readers with a deep understanding, not only on the fundamental principles of AIE, but more importantly, on how AIE luminogens and AIE properties can be incorporated in material development. - Provides the fundamental principles, design and synthesis strategies of aggregation induced emission materials - Reviews the most relevant applications in materials design for stimuli-responsive materials, biomedical applications, chemo-sensing and optoelectronics - Emphasizes structural design and its connection to aggregation induced emission properties, also exploring the structure-property relationship

Fundamental Chemistry with MATLAB highlights how MATLAB can be used to explore the fundamentals and applications of key topics in chemistry. After an introduction to MATLAB, the book provides examples of its application in both fundamental and developing areas of chemistry, from atomic orbitals, chemical kinetics and gaseous reactions, to clean coal combustion and ocean equilibria, amongst others. Complimentary scripts and datasets are provided to support experimentation and learning, with scripts outlined. Drawing on the experience of expert authors, this book is a practical guide for anyone in chemistry who is interested harnessing scripts, models and algorithms of the MATLAB. - Provides practical examples of using the MATLAB platform to explore contemporary problems in chemistry - Outlines the use of MATLAB Simulink to produce block diagrams for dynamic systems, such as in chemical reaction kinetics - Heavily illustrated with supportive block-diagrams and both 2D and 3D MATLAB plots throughout

Green chemistry already draws on many techniques and approaches developed by theoretical chemists, whilst simultaneously revealing a whole range of interesting new challenges for theoretical chemists to explore. Highlighting how work at the intersection of these fields has already produced beneficial results, Green Chemistry and Computational Chemistry: Shared Lessons in Sustainability is a practical, informative guide to combining green and theoretical chemistry principles and approaches in the development of more sustainable practices.Beginning with an introduction to both theoretical chemistry and green chemistry, the book goes on to explore current approaches being taken by theoretical chemists to address green and sustainable chemistry issues, before moving on to highlight ways in which green chemists are employing the knowledge and techniques of theoretical chemistry to help in developing greener processes. The future possibilities for theoretical chemistry in addressing sustainability issues are discussed, before a selection of case studies provides good insight into how these interactions and approaches have been successfully used in practice. - Highlights the benefits of green and theoretical chemistry groups working together to tackle sustainability issues across both academia and industry - Supports readers in easily selecting the most appropriate path through the book for their own needs - Presents a range of examples examining the practical implications and outcomes of interdisciplinary approaches

Biopolymers are becoming an increasingly important area of research as traditional chemical feedstocks run low and concerns about environmental impacts increase. One area of particular interest is their use for more sustainable development of metal nanoparticles. Biopolymer-Based Metal Nanoparticle Chemistry for Sustainability Applications, Volume 2 reviews key uses of biopolymers and biopolymer-based metal nanoparticles for a range of key sustainability-focused applications. After providing contextual examples of applications across the fields of food science, biomedicine and biochemistry, the book goes on to explore further sustainability-focused applications of Biopolymer-Based Metal Nanoparticles in such important areas as catalysis, environmental science, biosensing, and energy. - Provides an overview of biopolymer-based metal nanoparticles for a wide range of applications - Provides technological details on the synthesis of natural polymer-based metal nanoparticles - Explores the role of biopolymer-based metal nanoparticles for more sustainable catalytic processes

Handbook of Modern Coating Technologies: Fabrication Methods and Functional Properties reviews different fabrication methods and functional properties of modern coating technologies. The topics in this volume consist of nanocoatings by sol–gel processes for functionalization of polymer surfaces and textiles and mechanical fabrication methods of nanostructured surfaces such surface mechanical attrition treatment, polymer nanofabrications and its plasma processing, chemical vapor deposition of oxide materials at atmospheric pressure, conventional chemical vapor deposition process at atmospheric pressure, feasibility of atmospheric pressure, chemical vapor deposition process, Langmuir–Blodgett technique, flame pyrolysis, confined-plume chemical deposition, electrophoretic deposition, in vitro and in vivo particle coating for oral targeting and drug delivery, novel coatings to improve the performance of multilayer biopolymeric films for food packaging, corrosion protection by nanostructured coatings, tribological behavior of electroless coatings, effect of peening-based processes on tribological and mechanical behavior of bioimplant materials, improved efficiency of ceramic cutting tools in machining hardened steel with nanostructured multilayered coatings, incorporation of elastomeric secondary phase into epoxy matrix influences mechanical properties of epoxy coatings, enhancement of biocompatibility by coatings, porous hydroxyapatite–based coatings, and bionic colloidal crystal coatings.

Chemistry of Functional Materials Surfaces and Interfaces: Fundamentals and Applications gives a descriptive account of interfacial phenomena step-by-step, from simple to complex, to provide readers with a strong foundation of knowledge in interfacial materials chemistry. Many case studies are provided to give real-world examples of problems and their solutions, allowing readers to make the connection between fundamental understanding and applications. Emerging applications in nanomaterials and nanotechnology are also discussed. Throughout the book, the author explains the common interface and surface equations, models, methods, and applications in the creation of functional materials. The goal of Chemistry of Functional Materials Surfaces and Interfaces is to provide readers with the basic understanding of the common tools of surface and interface chemistry for application in materials science and nanotechnology. This book is suitable for researchers and practitioners in the disciplines of materials science and engineering and surface and interface chemistry. - Includes numerous real-world examples and case studies throughout - Addresses emerging applications of interfacial materials chemistry in nanomaterials and nanotechnology - Provides the foundational concepts of surface and interfacial science with models, equation, and methods

The study of gases, clusters, liquids, and solids as units or systems, eventually focuses on the properties of these systems as governed by interactions between atoms, molecules, and radicals that are not covalently bonded to one another. The stereo/spatial properties of molecular species themselves are similarly controlled, with such interactions found throughout biological, polymeric, and cluster systems and are a central feature of chemical reactions. Nevertheless, these interactions are poorly described and characterized, with efforts to do so, usually based on a particular quantum or even classical mechanical procedure, obscuring the fundamental nature of the interactions in the process. Intra- and Intermolecular Interactions Between Noncovalently Bonded Species addresses this issue directly, defining the nature of the interactions and discussing how they should and should not be described. It reviews both theoretical developments and experimental procedures in order to explore interactions between nonbonded entities in such a fundamental manner as to elucidate their nature and origins. Drawing attention to the extensive experience of its editor and team of expert authors, Intra- and Intermolecular Interactions Between Noncovalently Bonded Species is an indispensable guide to the foundational knowledge, latest advances, most pressing challenges, and future directions for all those whose work is influenced by these interactions. - Comprehensively describes the nature of interactions between nonbonded species in biological systems, liquids, crystals, clusters, and in particular, water. - Combines fundamental, theoretical, background information based on various approximations with the knowledge of experimental techniques. - Outlines interactions clearly and consistently with a particular focus on frequency and time-resolved spectroscopies as applied to these interactions.

Hot Topics in Crystal Engineering covers the design and synthesis of single crystalline solid-state materials, their properties and applications, focusing on the understanding and use of intermolecular interactions that constitute single crystalline materials. Many of the most modern materials, such as metal-organic frameworks (MOFs) capable of gas storage and separation, and selective entrapment of harmful substances, are the result of the rational use of crystal engineering. Topics covered in this work highlight breakthroughs in this rapidly developing field. This work offers a carefully chosen cross-section of the latest developments, some in their early infancy and some covered for the first time. - Provides comprehensive and authoritative articles, giving readers access to a wealth of information to fully support their research and activities - Covers the latest developments in crystal engineering, including topics which are in their early infancy - Written by leading international experts