Advances in Quantum Chemistry, Volume 86 highlights new advances in the field, with this new volume presenting topics covering Can orbital basis sets compete with explicitly correlated ones for few-electron systems?, Converging high-level equation-of-motion coupled-cluster energetics with the help of Monte Carlo and selected configuration interaction, Coupled cluster downfolding techniques: a review of existing applications in classical and quantum computing for chemical systems, Multi-reference methods for the description of dynamic and nondynamic electron correlation effects in atoms and molecules, Exploring the attosecond laser-driven electron dynamics in the hydrogen molecule with different TD-CI approaches, and much more. Additional sections cover Molecular systems in spatial confinement: variation of linear and nonlinear electrical response of molecules in the bond dissociation processes, Relativistic Infinite-order two-component methods for heavy elements, Second quantized approach to exchange energy revised - beyond the S^2 approximation, Calculating atomic states without the Born-Oppenheimer approximation, Convergence of the Correlated Optimized Effective Potential Method, and more.

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.

Natural Polymers in Wound Healing and Repair: From Basic Concepts to Emerging Trends presents comprehensive coverage on the development and application of natural polymers in wound healing and repair, including fundamental concepts, traditional approaches, cutting-edge methods and emerging trends. The application of natural polymers has evolved from their use in the simplest wound management material, to drug eluting matrices, to cell-laden constructs, and to 3D bio-printed skin equivalents. This book reflects the remarkable progress that has been made in recent years in this innovative field. This is an essential resource for researchers, scientists, and advanced students across polymer science, biomaterials, bio-based and sustainable materials, biomedicine, biomedical engineering, pharmaceuticals, and materials science and engineering. It will also be valuable to R&D professionals, scientists, technologists and all those working in a medical setting who are interested in the latest developments in advanced materials for wound management, healing and repair.

Jack Sabin, Scientist and Friend, Volume 85 in the Advances in Quantum Chemistry series, highlights new advances in the field, with chapters in this new release including: Elastic scattering of electrons and positrons from alkali atoms, Dissipative dynamics in many-atom systems, Shape sensitive Raman scattering from Nano-particles, Experience in E-learning and Artificial Intelligence, Structure and Correlation of Charges in a Harmonic Trap, Simulation of Molecular Spectroscopy in Binary Solvents, Approach for Orbital and Total Mean Excitation Energies of Atoms, and A New Generation of Quasiparticle Self-Energies. Additional sections cover: The stopping power of relativistic targets, Density functional methods for extended helical systems, Inspecting nlm-distributions due to charge exchange collisions of bare ions with hydrogen, Long-lived molecular dications: a selected probe for double ionization, and much more.

Biodegradability of Conventional Plastics: Opportunities, Challenges, and Misconceptions brings together innovative research on the biodegradability of conventional plastics, providing an extensive overview of approaches and strategies that may be implemented, while also highlighting other methods for alleviating the eventual environmental impact of plastics. The book begins by providing a lifecycle assessment of plastics, the environmental impact of plastic waste, and the factors that affect the biodegradability of plastics. The different categories and terminologies surrounding bio-based plastics and biodegradable plastics are then defined and explained in detail, as are the issues surrounding bioplastics. Other sections discuss biodegradability, approaches for enhanced biodegradability of various major types of plastics, including polyolefins, polyethylene terephthalate (PET), polystyrene, poly(vinyl chloride), automotive plastics and composites, and agricultural plastic waste. The final part of the book focuses on further techniques and emerging areas, including the utilization of chemical additives, nanomaterials, the role of microbes in terms of microbial degradation and microbial attaching, revalorization of plastic waste through industrial biotechnology, and future opportunities and challenges.

Advanced Applications of Biobased Materials: Food, Biomedical, and Environmental Applications brings together cutting-edge developments in the preparation and application of biobased materials. The book begins by providing an overview of biobased materials, their classification, and their physical and chemical modifications. This is followed by a section covering the latest techniques in fabrication, processing and characterization. Subsequent chapters are grouped by application area, offering insights into advanced and emerging utilizations of biobased materials in food, biomedical and environmental applications. Sections cover lifecycle assessment, circular economy, sustainability, and future potential. This is a valuable resource for researchers, scientists and advanced students across polymer science, sustainable materials, biomaterials, materials chemistry, composite science, nanotechnology, biomedical engineering, and environmental science, as well a great book for engineers and R&D with an interest in biobased materials for emerging applications in the areas of biomedicine, food and the environment.

Polymeric Materials in Corrosion Inhibition: Fundamentals and Applications brings together the very latest information and techniques in the preparation and application of a broad range of polymeric materials as corrosion inhibitors in diverse corrosive environments. Sections introduce the fundamentals of polymeric materials, corrosion and corrosion inhibitors and include methodical coverage of polymers as corrosion inhibitors, with separate sections for natural and synthetic polymers. Each chapter guides the reader through the synthesis, properties and application of a specific polymer for corrosion inhibition, including an analysis of advantages and disadvantages and guidance on methods for improved performance. Final chapter cover other important aspects and developments, including adsorption mechanisms, quantum chemical calculations, molecular dynamics and simulations. This is a valuable reference for researchers and advanced students across a range of disciplines, including polymer science, corrosion, electrochemistry, materials science, chemical engineering, and petroleum engineering.

Rare Earth Metal-Organic Framework Hybrid Materials for Luminescence Responsive Chemical Sensors primarily focuses on rare earth functionalized metal-organic framework (MOF) hybrid materials for sensing applications. Sections cover an introduction to the field and key concepts like luminescence, rare earth ion luminescence and luminescence response for chemical sensing. Other section emphasize the luminescence response mode and sensing mechanisms of these important materials, including single mode and dual mode sensing, as well as chemical sensing mechanisms. Final sections outline different kinds of sensing analytes by rare earth functionalized MOFs hybrids and delve into emerging application. This book is suitable for materials scientists and engineers, materials chemists, chemists and chemical engineers. In addition, the material is appropriate for those working in academia and R&D in industry.

Annual Reports on NMR Spectroscopy, Volume 107, the latest release in a series that has established itself as a premier resource for both specialists and non-specialists interested in new techniques and applications pertaining to NMR spectroscopy, includes a variety of updated chapters covering NMR Diffusion Studies, Recent Advances in Understanding of Nucleus Contributions to NMR Nuclear Shieldings, and more.

Polymer-Based Nanoscale Materials for Surface Coatings presents the latest advances and emerging technologies in polymer-based nanomaterials for coatings, focusing on novel materials, characterization techniques, and cutting-edge applications. Sections present the fundamentals of surface preparation and nanocoatings, linking materials and properties, explaining the correlation between morphology, surface phenomena, and surface protection mechanism, and covering theory, modeling and simulation. Other presented topics cover characterization methods, with an emphasis on the latest developments in techniques and approaches. Aging and lifecycle assessment of coated surfaces and coatings are also discussed. Final sections explore advanced applications across a range of fields, including intelligent coatings for biomedical implants, self-healing coatings, syper-hydrophobicity, electroluminescence, sustainable edible coatings, marine antifouling, corrosion resistance, and photocatalytic coatings.

Mathematics for Physical Chemistry, Fifth Edition includes exercises that enable readers to test their understanding and put theory into practice. Chapters are constructed around a sequence of mathematical topics, progressing gradually into more advanced material, before discussing key mathematical skills, including the analysis of experimental data and-new to this edition-complex variables. Includes additional new content on Mathematica and its advanced applications. Drawing on the experience of its expert authors, this book is the ideal supplementary text for practicing chemists and students wanting to sharpen their mathematics skills and understanding of key mathematical concepts for applications across physical chemistry.

Conjugated Polymers for Next-Generation Applications, Volume One: Synthesis, Properties and Optoelectrochemical Devices describes the synthesis and characterization of varied conjugated polymeric materials and their key applications, including active electrode materials for electrochemical capacitors and lithium-ion batteries, along with new ideas of functional materials for next-generation high-energy batteries, a discussion of common design procedures, and the pros and cons of conjugated polymers for certain applications. The book's emphasis lies in the underlying electronic properties of conjugated polymers, their characterization and analysis, and the evaluation of their effectiveness for utilization in energy and electronics applications. This book is ideal for researchers and practitioners in the area of materials science, chemistry and chemical engineering.

Applications of Polymers and Plastics in Medical Devices: Design, Manufacture, and Performance is a comprehensive guide to plastic materials for medical devices, covering fundamentals, materials, applications and regulatory requirements. Sections cover the role of plastics in medical devices, socioeconomic factors, the classification of medical devices. The performance of, medical grades and suppliers of polymer materials, which are categorized by performance level are also explored, along with manufacturing processes for device components, including extrusion, casting, injection molding and assembly processes. The book then covers applications in detail, examining each device and the role that polymers and plastics play in its construction and function. This is an essential resource for engineers, R&D, and other professionals working on plastics for medical devices and those in the plastics industry, medical device manufacturing, pharmaceuticals, packaging and biotechnology. In an academic setting, this book is of interest to researchers and advanced students in medical plastics, plastics engineering, polymer science, mechanical engineering, chemical engineering, biomedical engineering and materials science.

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.

Recent Advances and Applications of Thermoset Resins, Second Edition provides a reference source for anyone interested in understanding the chemistry, processing, properties, composites and applications of thermoset resins. Sections cover the chemistry of thermoset resins and recent advances in various aspects, including toughening, micro-reinforcement, nano-reinforcement, simultaneous nano-reinforcement and toughening. The book provides detailed information on synthesis, characterization and processing techniques. A critical review of the latest advances in thermoset-based composites and nanocomposites is also presented, along with future directions of research in various areas of thermoset resins. This is a valuable resource for researchers, scientists and advanced students in polymer science, plastics engineering, adhesives and coatings, composites, and materials engineering, as well as R&D professionals, engineers and manufacturers with an interest in thermoset resins and materials for advanced applications.

Sustainable Polylactide-Based Blends provides a critical overview of the state-of-the-art in polylactide (PLA)-based blends, addressing the latest advances, innovative processing techniques and fundamental issues that persist in the field. Sections cover the fundamentals of sustainable polymeric materials, polylactide and polymer blends, current and upcoming processing technologies, structure and morphology characterization techniques for PLA and PLA-based blends, and the processing, morphology development, and properties of polylactide-based blends. Final chapters focus on current and future applications, market potential, key challenges and future outlooks. Throughout the book, theoretical modeling of immiscible polymer blends helps to establish structure-property relationships in various PLA-based polymer blends. With in-depth coverage of fundamentals and processing techniques, the book aims to support the selection of each processing method, along with an understanding of surface chemistry to achieve improved compatibility between phases.

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.

Design and Fabrication of Large Polymer Constructions in Space is a ground-breaking study of the polymeric materials, advanced chemical processes, and cutting-edge technology required in the construction of large polymer-based structures for space, when all steps in the process are carried out in the space environment, whether in orbit, in deep space, or on the surface of a moon, asteroid, or planet. The book begins by introducing the fundamentals and requirements of large constructions and inflatable structures for space. The next section of the book focuses on the utilization of polymeric materials within the space environment, examining the effects on materials (vacuum, plasma, temperature), the possible approaches to polymerization both in space and in orbit, the preparation and structure of polymer composites, and the methods for testing materials and structures in terms of strength, defects, and aging. Three chapters then cover how these materials and techniques might be applied to specific categories of construction, including larger space habitats, supporting space structures, and ground infrastructure. Finally, the financial aspects, the consequences for human space exploitation, and the possible future developments are discussed. Using materials science to push the boundaries of construction for space exploration and exploitation, this book is a unique resource for academic researchers and advanced students across polymer science, advanced materials, chemical engineering, construction, and space engineering, as well as for researchers, scientists and engineers at space agencies, companies and laboratories, involved in developing materials or technology for use in space. This is also of great interest to anyone interested in the role of materials science in the building of large space stations, spacecraft, planetary bases, large aperture antenna, radiation and thermal shields, and repairmen sets.

Electrochemical Sensors: From Working Electrodes to Functionalization and Miniaturized Devices provides an overview of the materials, preparation and fabrication methods for biosensor applications. The book introduces the field of electrochemistry and its fundamentals, also providing a practical overview of working electrodes as key components for the implementation of sensors and assays. Features covered include the prompt transfer of electrons, favorable redox behavior, biocompatibility, and inertness in terms of electrode fouling. Special attention is dedicated to analyzing the various working materials systems for electrodes used in electrochemical cells such as gold, carbon, copper, platinum and metal oxides. This book is suitable for academics and practitioners working in the disciplines of materials science and engineering, analytical chemistry and biomedical engineering.

Annual Reports on NMR Spectroscopy, Volume 106 highlights new advances in the field, with this new volume presenting interesting chapters. Each chapter is written by an international board of authors.

Oil Palm Biomass for Composite Panels: Fundamentals, Processing, and Applications explains the preparation and utilization of oil palm biomass for advanced composite panel products. It introduces the fundamentals of oil palm biomass and wood-based panel products, including basic properties, durability, deterioration, and adhesives. It also includes in-depth information on processing and treatments organized by biomass type, covering oil palm trunk and lumber, veneer, empty fruit bunches (EFBs), oil palm fronds, and other sources. Additionally, this book focuses on specific composite panel applications, explaining the utilization of oil palm biomass in specific products. Finally, current policy, economic and environmental factors, and supply considerations are discussed. The information contained in Oil Palm Biomass for Composite Panels will be of interest to researchers, scientists and advanced students in bio-based materials, polymer science, composites, wood science, forestry, and biomass, as well as industrial scientists and product designers working with oil palm biomass, wood-based products, and sustainable materials.

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.

Rheology: Concepts, Methods, and Applications, Fourth Edition provides a thorough historical and theoretical grounding in the field and introduces rheology as the method for solving many practical problems in materials science and engineering. This new edition has been updated to include new evidence-based methods and applications, coverage of non-Newtonian properties and their effect on material processing, heterogeneity in flow, rheology of highly concentrated emulsions and suspensions, viscosity and viscoelastic behavior of nanocomposites, the behavior of supramolecular solutions, rheology of gels, deformation-induced anisotropy, conformation changes during flow and molecular orientation. The book is practical and relevant for industry, but also consistent with rheology courses in academia, making it relevant to both academics and accomplished rheologists in industry.

Advances in Inorganic Chemistry, Volume 79, the latest release in an esteemed series that highlights new advances in the field of inorganic chemistry, presents new and interesting topics authored by an international field of experts.

Databook of Blowing and Auxiliary Agents, Second Edition includes the most current information on foaming technology, guiding users on the proper selection of formulation, which is highly dependent on the mechanisms of action of blowing agents and foaming agents, as well as dispersion and solubility. The book includes properties of 23 groups of blowing agents and the typical range of technical performance for each group, including general properties, physical-chemical properties, health and safety, environmental impact, and applications in different products and polymers. All information is illustrated by chemical reactions and diagrams. Chapters in the book look at foaming mechanisms with the use of solid blowing agents, which are decomposed to the gaseous products by application of heat, production of gaseous products by chemical reaction, and foaming by gases and evaporating liquids.