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.

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.

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.

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/ )

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.

Advances in Physical Organic Chemistry, Volume 56 presents the latest reviews of recent work in physical organic chemistry. The book provides a valuable source of information that is ideal not only for physical organic chemists applying their expertise to both novel and traditional problems, but also for non-specialists across diverse areas who identify a physical organic component in their approach to research. Chapters due to be included in this release cover flavin-dependent enzyme catalysed reactions, coacervates and their properties, heavy atom tunnelling, machine learning, acidity and substituent effects.

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.

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.

Epitaxial Growth of Complex Metal Oxides, Second Edition reviews techniques and recent developments in the fabrication quality of complex metal oxides, which are facilitating advances in electronic, magnetic and optical applications. Sections review the key techniques involved in the epitaxial growth of complex metal oxides and explore the effects of strain and stoichiometry on crystal structure and related properties in thin film oxides. Finally, the book concludes by discussing selected examples of important applications of complex metal oxide thin films, including optoelectronics, batteries, spintronics and neuromorphic applications. This new edition has been fully updated, with brand new chapters on topics such as atomic layer deposition, interfaces, STEM-EELs, and the epitaxial growth of multiferroics, ferroelectrics and nanocomposites.

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.

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.

Handbook on the Physics and Chemistry of Rare Earths: Including Actinides, Volume 61 presents the latest release in this continuous series that covers all aspects of rare earth science, including chemistry, life sciences, materials science and physics.

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.

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.

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.

Luminescent Metal Nanoclusters: Synthesis, Characterization, and Applications provides a comprehensive accounting of various protocols used for the synthesis of metal nanoclusters, their characterization techniques, toxicity evaluation and various applications and future prospects. The book provides detailed experimental routes, along with mechanisms on the formation of benign metallic clusters using biomaterials and a comprehensive review regarding the preparation, properties and prospective applications of these nano clusters in various fields, including therapeutic applications. Various methods to protect nanocluster materials to increase their stability are emphasized, including the incorporation of ligands (protein, small molecule, DNA, thiols). This book addresses a gap in the current literature by bringing together the preparation, characterization and applications of all the possible types of reported metal nanoclusters and their hybrids. It is suitable for materials scientists and engineers in academia and those working in research and development in industry. It may also be of interest to those working in the interdisciplinary nanotechnology community, such as physical chemists.

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.

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.

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.

Carbon-Based Metal Free Catalysts: Preparation, Structural and Morphological Property and Application covers the different aspects of carbon-based metal free catalysts, including the fabrication of catalysts from natural sources and carbon allotropes, their manufacturing and design, characterization techniques, and applications. Special features in the book include illustrations and tables which summarize up-to-date information on research carried out on manufacturing, design, characterization and applications of metal free catalysts. This book assembles the information and knowledge on metal free catalysts and emphasizes the concept of green technology in the field of manufacturing and design. It is an ideal reference source for lecturers, students, researchers and industrialists working in the field of new catalyst development, especially polymer composites and is a valuable reference book handbook for teaching, learning, and research.

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.