State of the Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More, Volume 79 in the Advances in Quantum Chemistry series, presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry and biology. Chapters in this new release include Computing accurate molecular properties in real space using multiresolution analysis, Self-consistent electron-nucleus cusp correction for molecular orbitals, Correlated methods for computational spectroscopy, Potential energy curves for the NaH molecule and its cation with the cock space coupled cluster method, and much more.

Liquid 4He and 3He are the purest Bose and Fermi liquids currently found in nature. Understanding their dynamics is fundamental to understanding more complex matter. This book provides an introduction to the subject and develops the theory of zero sound, phonons, rotons, spin and single particle excitations in quantum solids and fluids. Similarities between quantum solids and fluids are drawn wherever possible. Topics include dynamic response functions, neutron studies of solid helium, the nature of excitations in 3He, approximations to the dynamic susceptibility, and intermediate and high momentum transfer, among many others. In offering a critical comparison between theory and up-to-the-minute experimental data, the book provides a comprehensive assessment of our current understanding of collective and single particle excitations in quantum liquids and solids.

Highly accurate chemical speciation is of great importance in environmental, clinical, and food sciences, as well as in archaeometry. Trace analysis via atomic spectrometry, mass spectroscopy, gas chromatography, electron microprobing, or X-ray absorption spectroscopy provides detailed information on surface and sub-surface domain of samples. The book comprehensively presents modern techniques, timely application, and data modeling.

This book shows how the fundamentals of electron paramagnetic resonance (EPR) spectroscopy are practically implemented and illustrates the diversity of current applications. The technique is used at various levels, and applications are presented in order of increasing difficulty, with reference to theoretically obtained results. This book features a diverse array of application examples, from fields such as ionizing radiation dosimetry, neurodegenerative diseases, structural transitions in proteins, and the origins of terrestrial life. The final chapter of this book highlights the principles and applications of the technique of ferromagnetic resonance spectroscopy, followed by a brief introduction to advanced EPR techniques such as electron spin echo envelope modulation (ESEEM), hyperfine sub-level correlation (HYSCORE), pulsed electron-electron double resonance (PELDOR), and continuous wave electron nuclear double resonance (ENDOR) experiments.

This book highlights and investigates novel solid-state luminescent properties of crystals with stimuli-responsive behavior. Several novel molecular designs for controlling crystal structures with photo-physical properties are described, with a special focus on external stimuli-responsive properties. The major goal of the material design concept was to capitalize on the chirality of crystals with stimuli-responsive properties. To allow crystals' chirality to be controlled and modified by means of external stimulation, the axial chirality of biaryl moiety was employed and, interestingly, produced several novel mechano- and vapo-responsive luminescent properties based on crystal-to-crystal or single-crystal-to-single-crystal phase transitions. In addition, the book details how the molecular rotation of luminophores in the solid phase can be used to achieve corresponding thermal-responsive phosphorescence. The reports presented here illustrate how the author has succeeded in controlling structural factors in a bulk environment by using molecular design with linking to photo-physical properties. The content will be of great interest to researchers in the field, and to members of chemical and material science societies.

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.

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 an introduction of how radiation is processed in polymeric materials, how materials properties are affected and how the resulting materials are analyzed. It covers synthesis, characterization, or modification of important materials, e.g. polycarbonates, polyamides and polysaccharides, using radiation. For example, a complete chapter is dedicated to the characterization of biodegradable polymers irradiated with low and heavy ions. This book will be beneficial to all polymer scientists in the development of new macromolecules and to all engineers using these materials in applications. It summarizes the fundamental knowledge and latest innovations in research fields from medicine to space.

This book offers a didactic and a self-contained treatment of the physics of liquid and flowing matter with a statistical mechanics approach. Experimental and theoretical methods that were developed to study fluids are now frequently applied to a number of more complex systems generically referred to as soft matter. As for simple liquids, also for complex fluids it is important to understand how their macroscopic behavior is determined by the interactions between the component units. Moreover, in recent years new and relevant insights have emerged from the study of anomalous phases and metastable states of matter. In addition to the traditional topics concerning fluids in normal conditions, the authors of this book discuss recent developments in the field of disordered systems in condensed and soft matter. In particular they emphasize computer simulation techniques that are used in the study of soft matter and the theories and study of slow glassy dynamics. For these reasons the book includes a specific chapter about metastability, supercooled liquids and glass transition. The book is written for graduate students and active researchers in the field.

Teaching the fundamental knowledge required for successful dispersion of powders in a liquid, this book covers a host of topics -- from recent advances to industrial applications.
In 15 chapters it supports formulation chemists in preparing a suspension in a more rational way, by applying the principles of colloid and interface science, while at the same time enabling the research scientist to discover new methods for preparing stable suspensions.
Essential reading for those working in the pharmaceutical, cosmetic, food, paint, ceramic and agricultural industries.

Preparation, Characterization, Properties and Application of Nanofluid begins with an introduction of colloidal systems and their relation to nanofluid. Special emphasis on the preparation of stable nanofluid and the impact of ultrasonication power on nanofluid preparation is also included, as are characterization and stability measurement techniques. Other topics of note in the book include the thermophysical properties of nanofluids as thermal conductivity, viscosity, and density and specific heat, including the figure of merit of properties. In addition, different parameters, like particle type, size, concentration, liquid type and temperature are discussed based on experimental results, along with a variety of other important topics. The available model and correlations used for nanofluid property calculation are also included.

This book is unique in occupying a gap between standard undergraduate texts and more advanced texts on quantum field theory. It covers a range of renormalization methods with a clear physical interpretation (and motivation), including meanfield theories and high-temperature and low-density
expansions. It then proceeds by easy steps to the famous epsilon-expansion, ending up with the first-order corrections to critical exponents beyond mean-field theory. Nowadays, there is widespread interest in applications of renormalization methods to various topics ranging over soft condensed
matter, engineering dynamics, traffic queueing and fluctuations in the stock market. Hence macroscopic systems are also included, with particular emphasis on the archetypal problem of fluid turbulence. The book is also unique in making this material accessible to readers other than theoretical
physicists, as it requires only the basic physics and mathematics which should be known to most scientists, engineers and mathematicians.

This second volume of "Progress in Photon Science - Recent Advances" presents the latest achievements made by world-leading researchers in Russia and Japan. Thanks to recent advances in light source technologies; detection techniques for photons, electrons, and charged particles; and imaging technologies, the frontiers of photon science are now being expanding rapidly. Readers will be introduced to the latest research efforts in this rapidly growing research field through topics covering bioimaging and biological photochemistry, atomic and molecular phenomena in laser fields, laser-plasma interaction, advanced spectroscopy, electron scattering in laser fields, photochemistry on novel materials, solid-state spectroscopy, photoexcitation dynamics of nanostructures and clusters, and light propagation.

Mathematical Physics in Theoretical Chemistry deals with important topics in theoretical and computational chemistry. Topics covered include density functional theory, computational methods in biological chemistry, and Hartree-Fock methods. As the second volume in the Developments in Physical & Theoretical Chemistry series, this volume further highlights the major advances and developments in research, also serving as a basis for advanced study. With a multidisciplinary and encompassing structure guided by a highly experienced editor, the series is designed to enable researchers in both academia and industry stay abreast of developments in physical and theoretical chemistry.

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.

Anisotropic Particle Assemblies: Synthesis, Assembly, Modeling, and Applications covers the synthesis, assembly, modeling, and applications of various types of anisotropic particles. Topics such as chemical synthesis and scalable fabrication of colloidal molecules, molecular mimetic self-assembly, directed assembly under external fields, theoretical and numerical multi-scale modeling, anisotropic materials with novel interfacial properties, and the applications of these topics in renewable energy, intelligent micro-machines, and biomedical fields are discussed in depth. Contributors to this book are internationally known experts who have been actively studying each of these subfields for many years. This book is an invaluable reference for researchers and chemical engineers who are working at the intersection of physics, chemistry, chemical engineering, and materials science and engineering. It educates students, trains the next generation of researchers, and stimulates continuous development in this rapidly emerging area for new materials and innovative technologies.

Aluminum, bound almost exclusively to oxygen in various combinations, is the most abundant metal in the earth's crust and, therefore, of great commercial potential. Once methods were developed (in the 1880's) to free useable quantities of the element from oxygen, applications for the element began developing rapidly. This growth has resulted in the ubiquity of the metal in today's world. Therefore it can be found intentionally introduced in many products in direct contact with human beings. It is commonly known that soluble forms of aluminum aretoxic to living organisms. However, aluminum is not known to be bioavailable under everyday conditions. In fact, the solubility product of common aluminum compounds, such as AI(OH)3 is so low as to make it essentially unavailable. This volume of Structure and Bonding seeks to provide in one source, a resource where the basic science related to aluminum toxicity may be obtained. It should be stressed that this volume is not intended to be a warning to avoid contact with aluminum. Living organisms have adequate defenses to prevent aluminum toxicity under normal conditions. Rather the volume was created to simply provide an understanding of the biological effects of aluminum. As such, the present volume should be considered in the context of the companion volumes in this three part series of Structure and Bonding. The first volume was devoted to fundamental developments in group 13 chemistry.

Biopolymer Electrolytes: Fundamentals and Applications in Energy Storage provides the core fundamentals and applications for polyelectrolytes and their properties with a focus on biopolymer electrolytes. Increasing global energy and environmental challenges demand clean and sustainable energy sources to support the modern society. One of the feasible technologies is to use green energy and green materials in devices. Biopolymer electrolytes are one such green material and, hence, have enormous application potential in devices such as electrochemical cells and fuel cells.

Microfluidics for Pharmaceutical Applications: From Nano/Micro Systems Fabrication to Controlled Drug Delivery is a concept-orientated reference that features case studies on utilizing microfluidics for drug delivery applications. It is a valuable learning reference on microfluidics for drug delivery applications and assists practitioners developing novel drug delivery platforms using microfluidics. It explores advances in microfluidics for drug delivery applications from different perspectives, covering device fabrication, fluid dynamics, cutting-edge microfluidic technology in the global drug delivery industry, lab-on-chip nano/micro fabrication and drug encapsulation, cell encapsulation and delivery, and cell- drug interaction screening. These microfluidic platforms have revolutionized the drug delivery field, but also show great potential for industrial applications.

Nonlinearity and Chaos in Molecular Vibrations deals systematically with a Lie algebraic approach to the study of nonlinear properties of molecular highly excited vibrations. The fundamental concepts of nonlinear dynamics such as chaos, fractals, quasiperiodicity, resonance, and the Lyapunov exponent, and their roles in the study of molecular vibrations are presented.
The 20 chapters cover the basic ideas, the concept of dynamical groups, the integrable two-mode SU(2) system, the unintegrable three-mode SU(3) system, the noncompact su(1,1) algebraic application, su(3) symmetry breaking and its application and the quantal effect of asymmetric molecular rotation. Emphasis is given to: resonance and chaos, the fractal structure of eigencoefficients, the C-H bend motion of acetylene, regular and chaotic motion of DCN, the existence of approximately conserved quantum numbers, one-electronic motion in multi-sites, the Lyapunov exponent, actions of periodic trajectories and quantization, the H function and its application in vibrational relaxation as well as the Dixon dip and its destruction and chaos in the transitional states. This approach bridges the gap between molecular vibrational spectroscopy and nonlinear dynamics.
The book presents a framework of information that readers can use to build their knowledge, and is therefore highly recommended for all those working in or studying molecular physics, molecular spectroscopy, chemical physics and theoretical physics.
* Discusses nonlinearity and chaotic phenomena in molecular vibrations
* Approaches the complicated highly excited molecular vibration
* Provides clear information for students and researchers looking to expand knowledge in this field

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.

Charge density analysis of materials provides a firm basis for the evaluation of the properties of materials. The design and engineering of a new combination of metals requires a firm knowledge of intermolecular features. Recent advances in technology and high-speed computation have made the crystal X-ray diffraction technique a unique tool for the determination of charge density distribution in molecular crystal. Methods have been developed to make experimental probes capable of unraveling the features of charge densities in the intra- and inter-molecular regions of crystal structures. In Metal and Alloy Bonding - An Experimental Analysis, the structural details of materials are elucidated with the X-ray diffraction technique. Analyses of the charge density and the local and average structure are given to reveal the structural properties of technologically important materials. Readers will gain a new understanding of the local and average structure of existing materials. The electron density, bonding, and charge transfer studies in Metal and Alloy Bonding - An Experimental Analysis contain useful information for researchers in the fields of physics, chemistry, materials science, and metallurgy. The properties described in these studies can contribute to the successful engineering of these technologically important materials.

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.

Nanomaterials in Chromatography: Current Trends in Chromatographic Research Technology and Techniques provides recent advancements in the wide variety of chromatographic techniques applied to nanotechnology. As nanomaterials' unique properties can improve detection sensitivity and miniaturize the devices used in analytical procedures, they can substantially affect the evaluation and analysis ability of scientists and researchers and foster exciting developments in separation science. The book includes chapters on such crucial topics as the use of nanomaterials in sample preparation and the legalization of nanomaterials, along with a section on reducing the cost of the analysis process, both in terms of chemicals and time consumption.