Inelastic neutron scattering (INS) is a spectroscopic technique in which neutrons are used to probe the dynamics of atoms and molecules in solids and liquids. This book is the first, since the late 1960s, to cover the principles and applications of INS as a vibrational-spectroscopic technique. It provides a hands-on account of the use of INS, concentrating on how neutron vibrational spectroscopy can be employed to obtain chemical information on a range of materials that are of interest to chemists, biologists, materials scientists, surface scientists and catalyst researchers. This is an accessible and comprehensive single-volume primary text and reference source.

Micro- and Nanostructured Composite Materials for Neutron Shielding Applications presents recent developments and future possibilities for neutron shielding materials. Emphasis is placed on the correlation between the morphology, shielding mechanisms, and other desired properties, including their mechanical and thermal properties. The effect of neutron absorbing fillers, including their size on final properties is also examined, as are recent advancements in preparation, characterization and simulation techniques. Written by specialists in their respective fields, this comprehensive resource will help professionals and students understand the fundamentals of neutron shielding, as well as the properties of micro- and nanopolymer-based composites, concrete materials, alloy materials and metal-ceramic composites. - Provides an up-to-date understanding of the fundamentals of shielding mechanisms, morphology and material property correlations - Covers a broad range of micro and nano composite materials for neutron shielding - Discusses recent advances surrounding the synthesis and processing of nanostructures and nanocomposite materials

Co-edited by world-renowned scientists in the field of catalysis, this book contains the cutting-edge in situ and operando spectroscopy characterization techniques operating under reaction conditions to determine a materials’ bulk, surface, and solution complex and their applications in the field of catalysis with emphasis on solid catalysts in powder form since such catalyst are relevant for industrial applications. The handbook covers from widely-used to cutting-edge techniques. The handbook is written for a broad audience of students and professionals who want to pursue the full capabilities available by the current state-of-the-art in characterization to fully understand how their catalysts really operate and guide the rational design of advanced catalysts. Individuals involved in catalysis research will be interested in this handbook because it contains a catalogue of cutting-edge methods employed in characterization of catalysts. These techniques find wide use in applications such as petroleum refining, chemical manufacture, natural gas conversion, pollution control, transportation, power generation, pharmaceuticals and food processing. fdsfds

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

This book embraces all physiochemical aspects of the structure and molecular dynamics of water, focusing on its role in biological objects, e.g. living cells and tissue, and in the formation of functionally active structures of biological molecules and their ensembles. Water is the single most abundant chemical found in all living things. It offers a detailed look into the latest modern physical methods for studying the molecular structure and dynamics of the water and provides a critical analysis of the existing literature data on the properties of water in biological objects. Water as a chemical reagent and as a medium for the formation of conditions for enzymatic catalysis is a core focus of this book. Although well suited for active researchers, the book as a whole, as well as each chapter on its own, can be used as fundamental reference material for graduate and undergraduate students throughout chemistry, physics, biophysics and biomedicine.

HELPS RESEARCHERS DEVELOP NEW CATALYSTS FOR SUSTAINABLE FUEL AND CHEMICAL PRODUCTION Reviewing the latest developments in the field, this book explores the in-situ characterization of heterogeneous catalysts, enabling readers to take full advantage of the sophisticated techniques used to study heterogeneous catalysts and reaction mechanisms. In using these techniques, readers can learn to improve the selectivity and the performance of catalysts and how to prepare catalysts as efficiently as possible, with minimum waste. In-situ Characterization of Heterogeneous Catalysts features contributions from leading experts in the field of catalysis. It begins with an introduction to the fundamentals and then covers: Characterization of electronic and structural properties of catalysts using X-ray absorption fine structure spectroscopy Techniques for structural characterization based on X-ray diffraction, neutron scattering, and pair distribution function analysis Microscopy and morphological studies Techniques for studying the interaction of adsorbates with catalyst surfaces, including infrared spectroscopy, Raman spectroscopy, EPR, and moderate pressure XPS Integration of techniques that provide information on the structural properties of catalysts with techniques that facilitate the study of surface reactions Throughout the book, detailed examples illustrate how techniques for studying catalysts and reaction mechanisms can be applied to solve a broad range of problems in heterogeneous catalysis. Detailed figures help readers better understand how and why the techniques discussed in the book work. At the end of each chapter, an extensive set of references leads to the primary literature in the field. By explaining step by step modern techniques for the in-situ characterization of heterogeneous catalysts, this book enables chemical scientists and engineers to better understand catalyst behavior and design new catalysts for green, sustainable fuel and chemical production.

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