This book, Perturbation Theories for the Thermodynamic Properties of Fluids and Solids, provides a comprehensive review of current perturbation theories-as well as integral equation theories and density functional theories-for the equilibrium thermodynamic and structural properties of classical systems. Emphasizing practical applications, the text avoids complex theoretical derivations as much as possible. It begins with discussions of the nature of intermolecular forces and simple potential models. The book also presents a summary of statistical mechanics concepts and formulae. In addition, it reviews simulation techniques, providing background for the performance analyses of theories executed throughout the text using simulation data. Chapters describe integral equation theories, theoretical approaches for hard-sphere fluid or solid systems, and perturbation theories for simple fluids and solids for monocomponent and multicomponent systems. They also cover density functional theories for inhomogeneous systems and perturbative and nonperturbative approaches to describe the structure and thermodynamics of hard-body molecular fluids. The final chapter examines several more challenging systems, such as fluids near the critical point, liquid metals, molten salts, colloids, and aqueous protein solutions. This book offers a thorough account of the available equilibrium theories for the thermodynamic and structural properties of fluids and solids, with special focus on perturbation theories, emphasizing their applications, strengths, and weaknesses. Appropriate for experienced researchers as well as postgraduate students, the text presents a wide-ranging yet detailed view and provides a useful guide to the application of the theories described.

Concepts and Methods in Modern Theoretical Chemistry: Electronic Structure and Reactivity, the first book in a two-volume set, focuses on the structure and reactivity of systems and phenomena. A new addition to the series Atoms, Molecules, and Clusters, this book offers chapters written by experts in their fields. It enables readers to learn how concepts from ab initio quantum chemistry and density functional theory (DFT) can be used to describe, understand, and predict electronic structure and chemical reactivity. This book covers a wide range of subjects, including discussions on the following topics: DFT, particularly the functional and conceptual aspects Excited states, molecular electrostatic potentials, and intermolecular interactions General theoretical aspects and application to molecules Clusters and solids, electronic stress, and electron affinity difference The information theory and the virial theorem New periodic tables The role of the ionization potential Although most of the chapters are written at a level that is accessible to a senior graduate student, experienced researchers will also find interesting new insights in these experts' perspectives. This comprehensive book provides an invaluable resource toward understanding the whole gamut of atoms, molecules, and clusters.

The Matching Method for Asymptotic Solutions in Chemical Physics Problems by A. M. Il'in, L. A. Kalyakin, and S. I. Maslennikov
Singularly Perturbed Problems with Boundary and Interior Layers: Theory and Application by V. F. Butuzov and A. B. Vasilieva
Numerical Methods for Singularly Perturbed Boundary Value Problems Modeling Diffusion Processes by V. L. Kolmogorov and G. I. Shishkin
An important addition to the Advances in Chemical Physics series, this volume makes available for the first time in English the work of leading Russian researchers in singular perturbation theory and its application. Since boundary layers were first introduced by Prandtl early in this century, rapid advances have been made in the analytic and numerical investigation of these phenomena, and nowhere have these advances been more notable than in the Russian school of singular perturbation theory. The three chapters in this volume treat various aspects of singular perturbations and their numerical solution, and represent some of the best work done in this area:
* The first chapter, "The Matching Method for Asymptotic Solutions in Chemical Physics Problems," is concerned with the analysis of some singular perturbation problems that arise in chemical kinetics. In this chapter the matching method is applied to find asymptotic solutions to some dynamical systems of ordinary differential equations whose solutions have multiscale time dependence.
* The second chapter, "Singularly Perturbed Problems with Boundary and Interior Layers: Theory and Application," offers a comprehensive overview of the theory and application of asymptotic approximations for many different kinds of problems in chemical physics governed by either ordinary or partial differential equations with boundary and interior layers.
* The third chapter, "Numerical Methods for Singularly Perturbed Boundary Value Problems Modeling Diffusion Processes," discusses the numerical difficulties that arise in solving the problems described in the first two chapters, and proposes rigorous criteria for determining whether or not a numerical method is satisfactory for such problems. Methods satisfying these criteria are then constructed and applied to obtain numerical solutions to a range of sample problems.

Timely, authoritative, and invaluable to researchers in all areas of chemical physics, Singular Perturbation Problems in Chemical Physics is an essential resource.

This book introduces the concepts of physical chemistry of polymers in a format targeted for a blended-learning approach. It provides a basis to bridge polymer chemistry, which targets microscopic chain structures, and polymer engineering, which targets macroscopic material properties and functions. Topics covered are single chain statistics, multi-chain interactions, and chain dynamics, both from a viewpoint of structure, properties (mostly mechanical ones), and their interrelation. In all that, the author encourages the reader to think conceptually. Explains complex facts through simplifying models, diagrams, and illustrations Accessible to chemists, chemical engineers, materials scientists, and physicists Tailored content for an interactive blended-learning format

This textbook introduces the elementary basics of hydrochemistry with special focus on reaction equilibria in aquatic systems and their mathematical description. Topics discussed in this textbook include: structure and properties of water, concentration measures and activities, colligative properties, basics of chemical equilibria, gas-water partitioning, acid/base reactions, precipitation/dissolution, calco-carbonic equilibrium, redox reactions, complex formation, and sorption. Examples within the text as well as problems to be solved by the reader support the acquisition of knowledge. Complete and detailed solutions to the problems are given in a separate chapter.

Poly(lactic-co-glycolic acid) (PLGA) Nanoparticles for Drug Delivery is a comprehensive guide to PLGA nanoparticles for targeting various diseases, covering principles, formation, characterization, applications, regulations and the latest advances. Sections introduce the fundamental aspects of PLGA nanoparticles for drug delivery, including properties, preparation methods, characterization, drug loading methods, and drug release mechanisms, along with a focus on applications. Application of PLGA nanoparticles for the treatment of cancer, inflammatory, cerebral, cardiovascular, and infectious diseases, as well as in regenerative medicine, photodynamic and photothermal therapy, and gene therapy, are all explained in detail. The final chapters explore recent advances and regulatory aspects. This book is a valuable resource for researchers and advanced students across nanomedicine, polymer science, bio-based materials, chemistry, biomedicine, biotechnology, and materials engineering, as well as for industrial scientists and R&D professionals with an interest in nanoparticles for drug delivery, pharmaceutical formulations and regulations, and development of innovative biodegradable materials.

Inorganic Chemistry in India, Volume 81, the latest release in the Advances in Inorganic Chemistry series, highlights new advances in the field with this new volume presenting interesting chapters on topics such as Water Oxidation and Oxygen Reduction Reactions: A Mechanistic Perspective, Redox Activity as a Tool for Bond Activations and Functionalizations, Heme/Cu-oxygen Intermediates of Amyloid beta Peptides associated with Alzheimer's Disease, N-Heterocyclic Silylene Coordinated Coinage Metal Complexes: An Itinerary of Their Utilities, Implications of strongly coupled catecholate-based anchoring functionality of a sensitizer dye molecule towards photoinduced electron transfer dynamics, and more. Additional sections cover Application of Ru(edta) complexes in biomimetic activation of small molecules: Kinetic and Mechanistic Impact, and more.

A full understanding of modern chemistry is impossible without quantum theory. Since the advent of quantum mechanics in 1925, a number of chemical phenomena have been explained, such as electron transfer, excitation energy transfer, and other phenomena in photochemistry and photo-physics. Chemical bonds can now be accurately calculated with the help of a personal computer. Addressing students of theoretical and quantum chemistry and their counterparts in physics, Chemical Physics: Electrons and Excitations introduces chemical physics as a gateway to fields such as photo physics, solid-state physics, and electrochemistry. Offering relevant background in theory and applications, it covers the foundations of quantum mechanics and molecular structure, as well as more specialized topics such as transfer reactions and photochemistry.

Modern applications of nuclear chemistry concern various scientific disciplines. This new edition of Volume 2 Nuclear- and Radiochemistry: Modern Applications summarizes recent knowledge on radiation measurement and dosimetry, highsensitive, high-selective, and non-destructive analytical technologies, environmental aspects and nuclear dating, state-of-the-art research on actinides and radioelements, nuclear energy, and molecular diagnosis and patient treatment for nuclear medicine. Individual topics are presented by leading experts. This 2nd edition has updated literature references and includes new material throughout. The reader is also referred to the new edition of Volume 1 Nuclear- and Radiochemistry: Introduction.

Nuclear chemistry represents a vital fi eld of basic and applied research. This Volume 1 Nuclear- and Radiochemistry: Introduction describes the relevant parameters of stable and unstable atomic nuclei, the various modes of radioactive transformations, the corresponding types of radiation, and fi nally the mechanisms of nuclear reactions. The 2nd edition has updated the chapters throughout with additional material. The reader is also referred to the new edition of Volume 2 Nuclear- and Radiochemistry: Modern Applications.

The study of surfaces has experienced dramatic growth over the past decade. Now, the editors of the internationally celebrated series Advances in Chemical Physics have brought together in this self-contained, special topic volume contributions from leading researchers in the field treating some of the most crucial aspects of the experimental and theoretical study of surfaces. This work delves into such core issues as:

• Kinetics and dynamics of hydrogen adsorption on silicon surfaces.
• Potential energy surfaces of transition- metal-catalyzed chemical reactions.
• High-resolution helium atom scattering as a proof of surface vibrations.
• Ordering and phase transitions in adsorbed monolayers of diatomic molecules.
• The influence of dimensionality on static and dynamic properties of a system.
• New applications to fields as varied as catalysts and the passage of molecules through membranes.

This valuable resource provides important insights into the current state of knowledge about surface properties. Prigogine and Rice's latest work will stimulate the imagination and motivate the exploration of other aspects of this fascinating subject.

Circularity of Plastics: Sustainability, Emerging Materials, and Valorization of Waste Plastic takes an innovative, interdisciplinary approach to circularity and sustainability in plastics, with an emphasis on plastic waste and end-of-life treatment and options for recycling, re-use, valorization and development of biomass-based polymers. The book introduces key concepts of sustainable materials, the circular economy, and lifecycle assessment, and discusses challenges in the valorization of waste. Other sections cover the upcycling of waste plastic into new materials and fuels, with dedicated chapters exploring state-of-the-art techniques for conversion to new sustainable polymers, fuel, fine chemicals and carbon nanomaterials. Emerging technologies used to produce functional polymers from renewable feedstocks, including CO2, biomass, natural polymers, polylactic acid (PLA), and polyhydroxyalkanoate-based materials (PHAs) are then explored, with a final chapter focusing on applications of sustainable materials, challenges, and future perspectives. This is a valuable resource for researchers, scientists, engineers, R&D professionals, and advanced students from a range of disciplines and backgrounds, with an interest in sustainable materials, circularity in plastics, and polymer waste and valorization.

This title includes a number of Open Access chapters. Physical chemistry covers diverse topics, from biochemistry to materials properties to the development of quantum computers. Physical chemistry applies physics and math to problems that interest chemists, biologists, and engineers. Physical chemists use theoretical constructs and mathematical computations to understand chemical properties and describe the behavior of molecular and condensed matter. Their work involves manipulations of data as well as materials. Physical chemistry entails extensive work with sophisticated instrumentation and equipment as well as state-of-the-art computers. This new volume presents a selection of articles on topics in the field.

EPR spectroscopy is a versatile, nondestructive technique widely used in chemistry, biology, and physics. It detects molecules and materials with unpaired electrons making it a very selective technique that produces a wealth of information on such systems. Its high sensitivity makes it suitable in analyzing very small samples, single crystals, or reaction intermediates like radicals. This textbook takes a practical approach that introduces the basic concepts of EPR to suffi cient detail to allow the reader to gain a basic knowledge of EPR and understand how experiments are carried out and how spectra are analyzed and interpreted. Many illustrative examples are included drawn from solid-state physics and bioinorganic chemistry. It is suitable as a short introduction for advanced undergraduate and beginning graduate students taking their fi rst steps into EPR research.

Introduction to Computational Chemistry 3rd Edition provides a comprehensive account of the fundamental principles underlying different computational methods. Fully revised and updated throughout to reflect important method developments and improvements since publication of the previous edition, this timely update includes the following significant revisions and new topics: * Polarizable force fields * Tight-binding DFT * More extensive DFT functionals, excited states and time dependent molecular properties * Accelerated Molecular Dynamics methods * Tensor decomposition methods * Cluster analysis * Reduced scaling and reduced prefactor 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.

concentrates on teaching techniques using as much theory as needed.application of the techniques to many problems of materials characterization.

Mossbauer spectroscopy is a profound analytical method which has nevertheless continued to develop. The authors now present a state-of-the art book which consists of two parts. The first part details the fundamentals of Mossbauer spectroscopy and is based on a book published in 1978 in the Springer series 'Inorganic Chemistry Concepts' by P. Gutlich, R. Link and A.X. Trautwein.

The second part covers useful practical aspects of measurements, and the application of the techniques to many problems of materials characterization. The update includes the use of synchroton radiation and many instructive and illustrative examples in fields such as solid state chemistry, biology and physics, materials and the geosciences, as well as industrial applications. Special chapters on magnetic relaxation phenomena (S. Morup) and computation of hyperfine interaction parameters (F. Neese) are also included.

The book concentrates on teaching the technique using theory as much as needed and as little as possible. The reader will learn the fundamentals of the technique and how to apply it to many problems of materials characterization. Transition metal chemistry, studied on the basis of the most widely used Mossbauer isotopes, will be in the foreground.

This book provides a comprehensive and self-contained overview of recent progress in nonequilibrium statistical mechanics, in particular, the discovery of fluctuation relations and other time-reversal symmetry relations. The significance of these advances is that nonequilibrium statistical physics is no longer restricted to the linear regimes close to equilibrium, but extends to fully nonlinear regimes. These important new results have inspired the development of a unifying framework for describing both the microscopic dynamics of collections of particles, and the macroscopic hydrodynamics and thermodynamics of matter itself. The book discusses the significance of this theoretical framework in relation to a broad range of nonequilibrium processes, from the nanoscale to the macroscale, and is essential reading for researchers and graduate students in statistical physics, theoretical chemistry and biological physics.

A systematic exploration of the fascinating area of CH/p interaction-from the frontier of chemical research
The CH/p bond may be the weakest of the hydrogen bonds, but it has been found to play important roles in the physical, chemical, and biological properties of a variety of substances. This book offers a complete overview of the experimental basis, theoretical background, and nature of the CH/p interaction to facilitate a clearer common understanding of the interaction between CH bonds and p-systems. Featured topics include:
* Evidence and methods of detection
* Quantum chemical treatment of CH/p interaction
* Comparison with other types of weak molecular interactions
* Conformational consequences
* Chiroptical properties
* Selectivity in organic reactions
* Crystal structures of clathrates
* Inclusion compounds
* Interligand interactions in coordination chemistry
* Specific interactions in protein structures
* Prospects and possibilities for use in biochemistry and materials science
The CH/p Interaction makes an important contribution to the understanding of weak intermolecular forces and their potential value to the biochemical and pharmaceutical sciences. It will be welcomed by physical and synthetic organic chemists; structural chemists; and pharmaceutical and biochemists.

Advances in Quantum Chemical Topology Beyond QTAIM provides a complete overview of the field, starting with traditional methods and then covering key steps to the latest state-of-the-art extensions of QTAIM. The book supports researchers by compiling and reviewing key methods, comparing different algorithms, and providing computational results to show the efficacy of the approaches. Beginning with an introduction to quantum chemistry, QTAIM and key extensions, the book goes on to discuss interacting quantum atoms and related energy properties, explores partitioning methods, and compares algorithms for QTAIM. Partitioning schemes are them compared in more detail before applications are explored and future developments discussed. Drawing together the knowledge of key authorities in the area, this book provides a comprehensive, pedogeological guide to this insightful theory for all those interested in modelling, exploring and understanding molecular properties.

This book covers a broad range of topics from the interdisciplinary research field of ultrafast intense laser science, focusing on atoms and molecules interacting with intense laser fields, laser-induced filamentation, high-order harmonics generation, and high power lasers and their applications. This sixteenth volume features contributions from world-renowned researchers, introducing the latest reports on probing molecular chirality with intense laser fields, and the most recent developments in the Shanghai Superintense Ultrafast Laser Facility project. The PUILS series delivers up-to-date reviews of progress in this emerging interdisciplinary research field, spanning atomic and molecular physics, molecular science, and optical science, which has been stimulated by the recent developments in ultrafast laser technologies. Each volume compiles peer-reviewed articles authored by researchers at the forefront of each of their own subfields of ultrafast intense laser science. Every chapter opens with an overview of the topics to be discussed, so that researchers unfamiliar to the subfield, especially graduate students, can grasp the importance and attractions of the research topic at hand; these are followed by reports of cutting-edge discoveries.

Modern adhesive dentistry has numerous applications in cariology, as well as in aesthetic and pediatric dentistry, prosthodontics, implantology, and orthodontics-in essence, in comprehensive dental care. This unique book addresses various ramifications of adhesion and adhesives in the broad domain of dentistry. The topics covered include testing aspects of dental materials, dentin bonding, restorations, and adhesion promotion. This book reflects the cumulative wisdom of many world-renowned researchers and provides a useful reference to anyone involved in the various aspects of dentistry.