This book describes advanced research on the structures and photochemical properties of polyatomic molecules and molecular clusters having various functionalities under cold gas-phase conditions. Target molecules are crown ethers, polypeptides, large size protonated clusters, metal clusters, and other complex polyatomic molecules of special interest. A variety of advanced frequency and time-domain laser spectroscopic methods are applied. The book begins with the principle of an experimental setup for cold gas-phase molecules and various laser spectroscopic methods, followed by chapters on investigation of specific molecular systems. Through a molecular-level approach and analysis by quantum chemical calculation, it is possible to learn how atomic and molecular-level interactions (van der Waals, hydrogen-bonding, and others) control the specific properties of molecules and clusters. Those properties include molecular recognition, induced fitting, chirality, proton and hydrogen transfer, isomerization, and catalytic reaction. The information will be applicable to the design of new types of functional molecules and nanoparticles in the broad area that includes applied chemistry, drug delivery systems, and catalysts.

In this book, the authors use molecular dynamics simulations to conduct a comprehensive study of the compression/superheating limit and phase transition of 2D (monolayer, bilayer, and trilayer) water/ice constrained in graphene nanocapillaries. When subjected to nanoscale confinement and under ultrahigh pressure, water and ice behave quite differently than their bulk counterparts, partly because the van der Waals pressure can spark a water-to-ice transformation, known as the metastability limit of two-dimensional (2D) liquids. From a mechanical standpoint, this liquid-to-solid transformation characterizes the compression limit (or metastability limit) of 2D water. The findings presented here could help us to better understand the phase behavior of 2D confined water/ice.

This book provides deep insight into the physical quantity known as chemical activity. The author probes deep into classical thermodynamics in Part I, and then into statistical thermodynamics in Part II, to provide the necessary background. The treatment has been streamlined by placing some background material in appendices. Chemical Activity is of interest not only to those in chemical thermodynamics, but also to chemical engineers working with mass transfer and its applications - for example, separation methods.

This book summarizes the latest findings by leading researchers in the field of photon science in Russia and Japan. It discusses recent advances in the field of photon science and chemistry, covering a wide range of topics, including photochemistry and spectroscopy of novel materials, magnetic properties of solids, photobiology and imaging, and spectroscopy of solids and nanostructures. Based on lectures by respected scientists at the forefront of photon and molecular sciences, the book helps keep readers abreast of the current developments in the field.

An Introduction to the Gas Phase is adapted from a set of lecture notes for a core first year lecture course in physical chemistry taught at the University of Oxford. The book is intended to give a relatively concise introduction to the gas phase at a level suitable for any undergraduate scientist. After defining the gas phase, properties of gases such as temperature, pressure, and volume are discussed. The relationships between these properties are explained at a molecular level, and simple models are introduced that allow the various gas laws to be derived from first principles. Finally, the collisional behavior of gases is used to explain a number of gas-phase phenomena, such as effusion, diffusion, and thermal conductivity.

Chemical structure and bonding. The scope of the series spans the entire Periodic Table and addresses structure and bonding issues associated with all of the elements. It also focuses attention on new and developing areas of modern structural and theoretical chemistry such as nanostructures, molecular electronics, designed molecular solids, surfaces, metal clusters and supramolecular structures. Physical and spectroscopic techniques used to determine, examine and model structures fall within the purview of Structure and Bonding to the extent that the focus is on the scientific results obtained and not on specialist information concerning the techniques themselves. Issues associated with the development of bonding models and generalizations that illuminate the reactivity pathways and rates of chemical processes are also relevant. The individual volumes in the series are thematic. The goal of each volume is to give the reader, whether at a university or in industry, a comprehensive overview of an area where new insights are emerging that are of interest to a larger scientific audience.

This is the first book covering an interdisciplinary field between microwave spectroscopy of electron paramagnetic resonance (EPR) or electron spin resonance (ESR) and chronology science, radiation dosimetry and ESR (EPR) imaging in material sciences. The main object is to determine the elapsed time with ESR from forensic medicine to the age and radiation dose in earth and space science. This book is written primarily for earth scientists as well as for archaeologists and for physicists and chemists interested in new applications of the method. This book can serve as an undergraduate and graduate school textbook on applications of ESR to geological and archaeological dating, radiation dosimetry and microscopic magnetic resonance imaging (MRI). Introduction to ESR and chronology science and principle of ESR dating and dosimetry are described with applications to actual problems according to materials.

This book provides a penetrating and comprehensive description of energy selected reactions from a theoretical as well as experimental view. Three major aspects of unimolecular reactions involving the preparation of the reactants in selected energy states, the rate of dissociation of the activated molecule, and the partitioning of the excess energy among the final products, are fully discussed with the aid of 175 illustrations and over 1,000 references, most from the recent literature. Examples of both neutral and ionic reactions are presented. Many of the difficult topics are discussed at several levels of sophistication to allow access by novices as well as experts. Among the topics covered for the first time in monograph form is a discussion of highly excited vibrational/rotational states and intramolecular vibrational energy redistribution. Problems associated with the application of RRKM theory are discussed with the aid of experimental examples. Detailed comparisons are also made between different statistical models of unimolecular decomposition. Both quantum and classical models not based on statistical assumptions are described. Finally, a chapter devoted to the theory of product energy distribution includes the application of phase space theory to the dissociation of small and large clusters. The work will be welcomed as a valuable resource by practicing researchers and graduate students in physical chemistry, and those involved in the study of chemical reaction dynamics.

Volume 6 Reviews in Computational Chemistry Kenny B. Lipkowitz and Donald B. Boyd This Series Brings together Respected Experts in the Field of Computer-Aided Molecular Research. Computational Chemistry is Increasingly used in Conjunction with Organic, Inorganic, Medicinal, Biological, Physical, and Analytical Chemistry, Biotechnology, Materials Science, and Chemical Physics. This Volume Examines Quantum Chemistry of Solvated Molecules, Molecular Mechanics of Inorganics and Organometallics, Modeling of Polymers, Technology of Massively Parallel Computing, and Productivity of Modeling Software. A Guide to Force Field Parameters and a New Software Compendium Round out This Volume. -From Reviews of the Series The Book Transfers a Working Knowledge of Existing Computational Methods and Programs to an Interested Reader and Potential user. Structural Chemistry It Can Be Recommended for Everyone Who Wants to Learn About the Present State of Development in Computational Chemistry. Angewandte Chemie, International Edition in English

The book introduces fundamentals of 3D printing with light, photoinitiating system for 3D printing as well as resins. Plenty of applications, trends and prospects are also discussed, which make the book an essential reference for both scientists and industrial engineers in the research fields of photochemistry, polymer chemistry, rapid prototyping and photopolymerization.

Although originally invented and employed by physicists, electron paramagnetic resonance (EPR) spectroscopy has proven to be a very efficient technique for studying a wide range of phenomena in many fields, such as chemistry, biochemistry, geology, archaeology, medicine, biotechnology, and environmental sciences. Acknowledging that not all studies require the same level of understanding of this technique, this book thus provides a practical treatise clearly oriented toward applications, which should be useful to students and researchers of various levels and disciplines. In this book, the principles of continuous wave EPR spectroscopy are progressively, but rigorously, introduced, with emphasis on interpretation of the collected spectra. Each chapter is followed by a section highlighting important points for applications, together with exercises solved at the end of the book. A glossary defines the main terms used in the book, and particular topics, whose knowledge is not required for understanding the main text, are developed in appendices for more inquisitive readers.

This book summarizes the main advances in the mechanisms of combustion processes. It focuses on the analysis of kinetic mechanisms of gas combustion processes and experimental investigation into the interrelation of kinetics and gas dynamics in gas combustion. The book is complimentary to the one previously published, The Modes of Gaseous Combustion.

Handbook on the Physics and Chemistry of Rare Earths: Including Actinides, Volume 60 presents the latest release in this continuous series that covers all aspects of rare earth science, including chemistry, life sciences, materials science and physics.

This book is intended to provide a course of infrared spectroscopy for quantitative analysis, covering both bulk matter and surface/interface analyses. Although the technology of Fourier transform infrared (FT-IR) spectroscopy was established many years ago, the full potential of infrared spectroscopy has not been properly recognized, and its intrinsic potential is still put aside. FT-IR has outstandingly useful characteristics, however, represented by the high sensitivity for monolayer analysis, highly reliable quantitativity, and reproducibility, which are quite suitable for surface and interface analysis. Because infrared spectroscopy provides rich chemical information-for example, hydrogen bonding, molecular conformation, orientation, aggregation, and crystallinity-FT-IR should be the first choice of chemical analysis in a laboratory. In this book, various analytical techniques and basic knowledge of infrared spectroscopy are described in a uniform manner. In particular, techniques for quantitative understanding are particularly focused for the reader's convenience.

This book explores various aspects of biophysics, from neurobiology to quantum biology and the consciousness of human beings and in the universe. It examines eight different areas of natural intelligence, ranging from time crystals found in chemical biology, to the vibrations and the resonance of proteins, and also discusses hierarchical communication in various biological systems. Written by senior and experts in the field in language that is lucid and easy to understand, it is a valuable reference resource for researchers and practitioners in academia and industry.

This book details the rigorous requirements for refractories designed for aluminium metallurgical processes: reduction, cast house, and anode production. The author describes requirements specific to the properties and structure of refractory materials that differentiate it from materials used for ferrous metallurgy, among others. A comparison is drawn between the properties and structure of refractories and carbon cathode materials from different points of view: from the perspective of physical chemistry and chemical interactions during the metallurgical process and from the aspect of designing reduction pots and furnaces to accommodate the lifetime of metallurgical aggregates that are a part of aluminum refractory processes.

The bond valence model, a description of acid-base bonding, is widely used for analysing and modelling the structures and properties of solids and liquids. Unlike other models of inorganic chemical bonding, the bond valence model is simple, intuitive, and predictive, and is accessible to anyone with a pocket calculator and a secondary school command of chemistry and physics. This new edition of 'The Chemical Bond in Inorganic Chemistry: The Bond Valence Model' shows how chemical properties arise naturally from the conflict between the constraints of chemistry and those of three-dimensional space. The book derives the rules of the bond valence model, as well as those of the traditional covalent, ionic and popular VSEPR models, by identifying the chemical bond with the electrostatic flux linking the bonded atoms. Most of the new edition is devoted to showing how to apply these ideas to real materials including crystals, liquids, glasses and surfaces. The work includes detailed examples of applications, and the final chapter explores the relationship between the flux and quantum theories of the bond.

Imaging by Nuclear Magnetic Resonance (NMR) has been established in clinical diagnosis and is conquering materials science with a rapidly expanding number of applications in basic research as well as product and quality control for fluid flow, elastomers, and polymer materials. This book will provide graduate students, scientists and engineers with an introduction to the field. It is the first book on the subject and is likely to become the standard text for years to come.

This book covers various molecular, metal-organic, dynamic covalent, polymer and other gels, focusing on their driving interactions, structures and properties. It consists of six chapters demonstrating interesting examples of these gels, classified by the type of driving interaction, and also discusses the effect of these interactions on the gels' structures and properties. The book offers an interesting and useful guide for a broad readership in various fields of chemical and materials science.

This book features the essential material for any graduate or advanced undergraduate course covering solid-state electrochemistry. It provides the reader with fundamental course notes and numerous solved exercises, making it an invaluable guide and compendium for students of the subject. The book places particular emphasis on enhancing the reader's expertise and comprehension of thermodynamics, the Kroeger-Vink notation, the variation in stoichiometry in ionic compounds, and of the different types of electrochemical measurements together with their technological applications. Containing almost 100 illustrations, a glossary and a bibliography, the book is particularly useful for Master and PhD students, industry engineers, university instructors, and researchers working with inorganic solids in general.

High-pressure Molecular Spectroscopy describes examples of the applications of several spectroscopic methods to investigate the behavior of various chemical systems under high pressures, including guest-host interactions, chemical reactions, molecule-based multiferroics, lanthanide ion-doped glasses, and organic, inorganic and organometallic materials. The techniques involved include: Luminescence studies Inelastic neutron scattering Infrared and Raman studies Synchrotron X-ray diffraction

This book focuses on different aspects of microplastic pollution, offering authors and readers the opportunity to share their knowledge, identify issues and propose solutions and actions to face this environmental threat. Although plastic pollution is a well-known global problem, the recent discovery of microplastics and nanoplastics in seas and oceans represents a very alarming new environmental challenge. The book offers comprehensive insights into the origins of the problem, its impact on marine environments, particularly the Mediterranean Sea and coasts, and the current research trends aimed at finding technical solutions to mitigate the phenomenon. It is primarily intended for scientists and decision makers from industry, international, national and local institutions and NGOs

A comprehensive view of the current methods for modeling solvent environments with contributions from the leading researchers in the field. Throughout, the emphasis is placed on the application of such models in simulation studies of biological processes, although the coverage is sufficiently broad to extend to other systems as well. As such, this monograph treats a full range of topics, from statistical mechanics-based approaches to popular mean field formalisms, coarse-grained solvent models, more established explicit, fully atomic solvent models, and recent advances in applying ab initio methods for modeling solvent properties.

The Effect of Radiation on Properties of Polymers examines the effects of radiation on plastics and elastomers. Polymers are required in products or parts for a range of cutting-edge applications that are exposed to radiation, in areas such as space, medicine, and radiation processing. This book focuses on the effects of radiation exposure within that environment, providing in-depth data coverage organized by category of polymer. Aspects such as radiation impact on mechanical and thermal properties, including glass transition and heat deflection temperatures, are described, demonstrating how changes in these properties affect the performance of plastic or elastomer parts. The effect of radiation on electrical properties is also included. Supporting introductory chapters explain the key concepts of radiation, including the physical, mechanical, and thermal properties of plastics and elastomers. This is a vital resource for plastics engineers, product designers, and R&D professionals, working on products or parts for radioactive environments, as well as engineers and scientists in the medical, nuclear, and radiation processing industries. The book also supports researchers and scientists in plastics engineering, polymer processing and properties, polymer and coatings chemistry, materials science, and radiation.