Annual Reports in Computational Chemistry provides timely and critical reviews of important topics in computational chemistry as applied to all chemical disciplines. Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists.

Advances in Physical Organic Chemistry provides the chemical community with authoritative and critical assessments of the many aspects of physical organic chemistry. The field is a rapidly developing one, with results and methodologies finding application from biology to solid-state physics.

Particle formation with supercritical fluids is a promising alternative to conventional precipitation processes as it allows the reduction of particle size and control of morphology and particle size distribution without degradation or contamination of the product. The book comprehensively examines the current status of research and development and provides perspectives and insights on promising future directions. The introduction to high pressure and high temperature phase equilibria and nucleation phenomena provides the basic principles of the underlying physical and chemical phenomena, allowing the reader an understanding of the relationship between process conditions and particle characteristics. Bridging the gap between theory and application, the book imparts the scientific and engineering fundamentals for innovative particle formation processes. The interdisciplinary "modus operandi" will encourage cooperation between scientists and researchers from different but complementary disciplines.

This book presents a collection of selected reviews from PLMMP 2018 that address modern problems in the fields of liquids, solutions and confined systems, critical phenomena, as well as colloidal and biological systems. The papers focus on state-of-the-art developments in the contemporary physics of liquid matter, and are divided into four parts: (i) water and water systems, (ii) physical-chemical properties of liquid systems, (iii) aggregation in liquid systems, and (iv) biological aspects of liquid systems, irradiation influences on liquid systems. Taken together, they cover the latest developments in the broader field of liquid states, including interdisciplinary problems.

The contributions to this volume focus on selected chemical aspects of rare-earth materials. The topics covered range from a basic treatment of crystalline electric-field effects and chemical interactions in organic solvents, to separation processes, electrochemical beaviors which impact corrosion, oxidation resistance, chemical energy storage and sensor technology, and to analytical procedures.

Underlying the most subtle chemical and optical properties of these elements and their compounds in the condensed state are the crystal field effects. This phenomenon in non-metallic compounds is discussed in chapter six. The volume opens with a review of important new solvent extraction procedures as well as emerging alternative separation processes such as photochemical separation, precipitation stripping and supercritical extraction. Scientific and industrial procedures are illustrated. In a further chapter eight major analytical techniques of obtaining accurate trace analysis are examined, tabulated and assessed. The most effective procedures of each are also reviewed. Chapter two considers a wide variety of methods using rare-earth solutions and slats to modify advantageously the costly deterioration of metals and alloys. This topic is expanded in the following chapter, paying particular attention to protection against high-temperature oxidation, sulfidization and hot-salt corrosion. The following two chapters are concerned with the versatility of the rare earths in addressing current technical problems such the use of rare-earth intermetallics, principally LaNi3-based materials, to provide the skyrocketing need for environmetally friendly, usually portable, battery power. The final chapter is a review of the solvation, interaction and coordination of rare-earth salts in a variety of organic solvents including dimethylacetamide, dimethylsulfoxide, various alcohols, acetonitrile and propylenecarbonate under strict anhydrous conditions. A contrast of these interactions with those in which water is present with organic solvents is also made.

"Supercritical Fluid Technology for Energy and Environmental Applications" covers the fundamental principles involved in the preparation and characterization of supercritical fluids (SCFs) used in the energy production and other environmental applications. Energy production from diversified resources including renewable materials using clean processes can be accomplished using technologies like SCFs. This book is focused on critical issues scientists and engineers face in applying SCFs to energy production and environmental protection, the innovative solutions they have found, and the challenges they need to overcome. The book also covers the basics of sub- and supercritical fluids, like the thermodynamics of phase and chemical equilibria, mathematical modeling, and process calculations.

A supercritical fluid is any substance at a temperature and pressure above its critical point where distinct liquid and gas phases do not exist. At this state the compound demonstrates unique properties, which can be "fine-tuned," making them suitable as organic solvents in a range of industrial and laboratory processes.

This volume enables readers to select the most appropriate medium for a specific situation. It helps instructors prepare course material for graduate and postgraduate courses in the area of chemistry, chemical engineering, and environmental engineering. And it helps professional engineers learn supercritical fluid-based technologies and use them in solving the increasingly challenging environmental issues.
Relates theory, chemical characteristics, and properties of the particular supercritical fluid to its various applicationsCovers the fundamentals of supercritical fluids, like thermodynamics of phase and chemical equilibria, mathematical modeling, and process calculationsIncludes the most recent applications of supercritical fluids, includingenergy generation, materials synthesis, and environmental protection"

Until now the topic of gas dynamics has been included as a section in comprehensive textbooks on physical chemistry, or discussed at too high a level for undergraduate or graduate students. This book, based on courses given by the author in several countries, aims to fill this gap. To make the subject more accessible to students, there is a very strong emphasis on current applications of the theory. Part I introduces the kinetic theory of gases with relevance to molecular energies and intermolecular forces. Part II focuses on how these theories are used to explain real techniques and phenomena involving gases, allowing students to answer questions such as: 'How does a Laser work?' and 'What is a shock wave?' By stressing the practical implications, the book explains the theory of gas dynamics in a highly readable and comprehensible manner.

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 provides a concise overview of the photophysics and spectroscopy of bio chromophore ions. The book "Photophysics of Ionic Biochromophores" summarizes important recent advances in the spectroscopy of isolated biomolecular ions in vacuo, which has within the last decade become a highly active research field. Advanced instrumental apparatus and the steady increase in more and more powerful computers have made this development possible, both for experimentalists and theoreticians. Applied techniques described here include absorption and fluorescence spectroscopy, which are excellent indicators of environmental effects and can thus shed light on the intrinsic electronic structures of ions without perturbations from e.g. water molecules, counter ions, nearby charges, and polar amino acid residues. When compared with spectra of the chromophores in their natural environment, such spectra allow to identify possible perturbations. At the same time gas-phase spectra provide important benchmarks for quantum chemistry calculations of electronically excited states. This volume focuses on biological systems from protein biochromophores, e.g. the protonated Schiff-base retinal responsible for vision, and individual aromatic amino acids to peptides and whole proteins, studied using visible, ultraviolet and vacuum ultraviolet light. Work on DNA nucleotides and strands that are amenable to mass spectrometric studies because of the negatively charged sugarphosphate backbone are also presented. DNA strands represent an example of the interplay between multiple chromophores, which is even harder to model correctly than just single chromophores due to spatially extended excited states and weak coupling terms. The experimental techniques used to measure spectra and commonly used theoretical methods are described with a discussion on limitations and advantages. The volume includes an updated status of the field and interesting future directions such as cold ion spectroscopy.

"Advances in Physical Organic Chemistry" provides the chemical community with authoritative and critical assessments of the many aspects of physical organic chemistry. The field is a rapidly developing one, with results and methodologies finding application from biology to solid-state physics.
Reviews the application of quantitative and mathematical methods toward understanding chemical problemsCovers organic, organometallic, bioorganic, enzymes and materials topics

This book is exceptional in offering a thorough but accessible introduction to calorimetry that will meet the needs of both students and researchers in the field of particle physics. It is designed to provide the sound knowledge of the basics of calorimetry and of calorimetric techniques and instrumentation that is mandatory for any physicist involved in the design and construction of large experiments or in data analysis. An important feature is the correction of a number of persistent common misconceptions. Among the topics covered are the physics and development of electromagnetic showers, electromagnetic calorimetry, the physics and development of hadron showers, hadron calorimetry, and calibration of a calorimeter. Two chapters are devoted to more promising calorimetric techniques for the next collider. Calorimetry for Collider Physics, an introduction will be of value for all who are seeking a reliable guide to calorimetry that occupies the middle ground between the brief chapter in a generic book on particle detection and the highly complex and lengthy reference book.

This book provides an excellent overview on the most recent results on the industrial applications of Mossbauer spectroscopy attained on the fields of nanotechnology, metallurgy, biotechnology and pharmaceutical industry, applied mineralogy, energy production industry (coal, oil, nuclear, solar, etc.), computer industry, space technology, electronic and magnetic devices technology, ion implantation technology, including topics like characterization of novel construction materials, electronic components and magnetic materials, composite materials, colloids, amorphous and nanophase materials, small particles, coatings, interfaces, thin films and multilayers, catalysis, corrosion, tribology, surface modification, hydrogen storage, ball milling, radiation effects, electrochemistry, batteries, etc. From the various reports a broad overview emerges illustrating that the method can successfully be applied in a wide variety of topics.
Previously published in the journal Hyperfine Interactions."

The book highlights recent prominent results in the domain of the synthesis of new polyoxometalates with a specific attention to polyoxothioanions, and provides some novelties and perspectives in selected domains such as magnetism, luminescence and nanochemistry, and macroions self-assembly in solutions. The case of "one-pot" syntheses often used and reported in POMs synthesis is studied in terms of more complex solution speciation processes related to highly dynamical situation connected to factors such as pH, ionic strength, reaction time, temperature, counterion nature, concentration of starting materials, presence of electron donors and redox potentials. The behavior of macroions (2nm-6nm size range) in solution is shown to be quite different from the simple ionic solution or colloidal systems (Debye-Huckel model). Their self-assembling into a single-layered, spherical, hollow vesicle structure, namely the "blackberry" structure, is clearly described. Examples of spin clusters with tunable interactions are given and single molecule magnets based on POMs are specifically tackled. Besides paramagnetic transition metal centres and lanthanoid ions encapsulated in archetypal lacunary polyoxoanions, magnetically functionalized Kleperates are described, their discovery tracing back nearly 15 years.

This unique book presents a systematic review of the methods for the determination of binding constants of complex formation in solution. Collects material that has been scattered throughout the literature of several separate fields. Offered here are methods from the areas of acid-base chemistry, metal-ion coordination compounds, hydrogen-bonding, charge-transfer complexation, hydrophobic interaction, and protein-binding. Discusses the relevant thermodynamics, modelling, statistics and regression analysis, and interpretation of data. Includes fresh discussions of random association (contact complexes), selection of standard states, and comparison of results. Treats all of the experimental methods useful for measuring these equilibrium constants, including those based on spectrophotometry, nuclear magnetic resonance, reaction kinetics, potentiometry, solubility, liquid-liquid partitioning, dialysis, chromatography, flourimetry, and many others.

This comprehensive text collects the progress made in recent years in the fabrication, processing, and performance of organic nanophotonic materials and devices. The first part of the book addresses photonic nanofabrications in a chapter on multiphoton processes in nanofabrication and microscopy imaging. The second part of the book is focused on nanoscale light sources for integrated nanophotonic circuits, and is composed of three chapters on organic nano/microcavities, organic laser materials, and polymer light-emitting electrochemical cells (LECs). The third part is focused on the interactions between light and matter and consists in three chapters, including the propagation of light in organic nanostructures and photoswitches based on nonlinear optical polymer photonic crystals and photoresponsive molecules, respectively. The final chapter of this book introduces the integration of miniaturized photonic devices and circuits with various organic nanophotonic elements. The practical case studies demonstrate how the latest applications actually work, while tables throughout the book summarize key information and diagrams and figures help readers to grasp complex concepts and designs. The references at the end of each chapter can be used as the gateway to the relevant literature in the field. Moreover, this book helps researchers to advance their own investigations to develop the next generation of miniaturized devices for information processing, efficient energy conversion, and highly accurate sensing. Yong Sheng Zhao, PhD, is a Professor at the Institute of Chemistry, Chinese Academy of Sciences (ICCAS), China.

This book presents a state-of-the-art summary and critical analysis of work recently performed in leading research laboratories around the world on the implementation of metal oxide nanomaterial research methodologies for the discovery and optimization of new sensor materials and sensing systems. The book provides a detailed description and analysis of (i) metal oxide nanomaterial sensing principles, (ii) advances in metal oxide nanomaterial synthesis/deposition methods, including colloidal, emulsification, and vapor processing techniques, (iii) analysis of techniques utilized for the development of low temperature metal oxide nanomaterial sensors, thus enabling a broader impact into sensor applications, (iv) advances, challenges and insights gained from the in situ/ex situ analysis of reaction mechanisms, and (v) technical development and integration challenges in the fabrication of sensing arrays and devices.

Volume 4 of Formulation Science and Technology is a survey of the applications of formulations in a variety of fields, based on the theories presented in Volumes 1 and 2. It offers in-depth explanations and a wealth of real-world examples for research scientists, universities, and industry practitioners in the fields of Agrochemicals, Paints and Coatings and Food Colloids.

"Colloidal Foundations of Nanoscience" explores the theory and concepts of colloid chemistry and its applications to nanoscience and nanotechnology. It provides the essential conceptual and methodological tools to approach nano-research issues. The authors expertise in colloid science will contribute to the understanding of basic issues involved in research. Each chapter covers a classical subject of colloid science, in simple and straightforward terms, and addresses its relevance to nanoscience before introducing case studies.
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" Gathers in a single volume the information currently scattered across various sourcesStraightforward introduction of theoretical concepts and in-depth case studies help you understand molecular mechanisms and master advanced techniquesIncludes chapter on self-assembly as an alternative to nanostructured phasesIncludes examples showing applications of classical concepts to real-world cutting-edge research
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This volume deals with the chemistry of five-membered heterocycles containing at least two nitrogen atoms, or those with one, or more, nitrogens and one or more atoms from group 6 of the Peri tables. It includes chapters on: oxadiazoles and thiadiazoles; five-memebered heterocyclic compounds with four-heter-atoms in the ring; five-membered rings containing two nitrogen atoms; and five-membered heterocyclic compounds with three hetero-atoms in the ring.

Quantum Systems in Chemistry and Physics: Progress in Methods and Applications is a collection of 33 selected papers from the scientific contributions presented at the 16th International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XVI), held at Ishikawa Prefecture Museum of Art in Kanazawa, Japan, from September 11th to 17th, 2011. The volume discusses the state of the art, new trends, and the future of methods in mol- ecular quantum mechanics and their applications to a wide range of problems in physics, chemistry, and biology. The breadth and depth of the scientific topics discussed during QSCP-XVI appears in the classification of the contributions in six parts: I. Fundamental Theory II. Molecular Processes III. Molecular Structure IV. Molecular Properties V. Condensed Matter VI. Biosystems. Quantum Systems in Chemistry and Physics: Progress in Methods and Applications is written for advanced graduate students as well as for professionals in theoretical chemi- cal physics and physical chemistry. The book covers current scientific topics in mole- cular, nano, material, and bio sciences and provides insights into methodological deve- lopments and applications of quantum theory in physics, chemistry, and biology that have become feasible at the end of 2011.

Ion-exchange Technology I: Theory and Materials describes the theoretical principles of ion-exchange processes. More specifically, this volume focuses on the synthesis, characterization, and modelling of ion-exchange materials and their associated kinetics and equilibria. This title is a highly valuable source not only to postgraduate students and researchers but also to industrial R&D specialists in chemistry, chemical, and biochemical technology as well as to engineers and industrialists.

Volume 3 of Formulation Science and Technology is a survey of the applications of formulations in a variety of fields, based on the theories presented in Volumes 1 and 2. It offers in-depth explanations and a wealth of real-world examples for research scientists, universities, and industry practitioners in the fields of Pharmaceuticals, Cosmetics and Personal Care.

This monograph covers the concept of cartesian tensors with the needs and interests of physicists, chemists and other physical scientists in mind. After introducing elementary tensor operations and rotations, spherical tensors, combinations of tensors are introduced, also covering Clebsch-Gordan coefficients. After this, readers from the physical sciences will find generalizations of the results to spinors and applications to quantum mechanics.

Introduction to Cake Filtration presents a comprehensive account of cake filtration studies including analyses of cake formation and growth, results of filtration experiments and data interpretation, measurements and determinations of filtercake properties, and incorporation of cake filtration theories to the analysis of several solid fluid separation processes. It aims at providing the necessary information to prepare people planning to undertake cake filtration work beyond the elementary level. In particular, it is hoped that this book will be helpful to individuals who are interested in cake filtration research and development quickly on track.

This volume on cake filtration consists of three main parts: analyses of cake formation and growth, filtration experiments and cake property measurements, and the incorporation of cake filtration theory to the analysis of fluid-particle separation process. It is intended to introduce engineers and engineering students to the subject opf cake filtration at an advanced level and to provide useful information to practicing engineers interested in the design and development of cake filtration systems.
- Provides a thorough survey of previous work on cake filtration analysis to gain a basic understanding of the current status of research
- Discusses in detail the methods used to determine filter cake properties to obtain practically useful information
- Contains outlines of several important but unsolved issues in cake filtration and solid-fluid separation

"Encyclopedia of the Alkaline Earth Compounds" is a compilation describing the physical and chemical properties of all of the alkaline earth compounds that have been elucidated to date in the scientific literature. These compounds are used in applications such as LEDs and electronic devices such as smart phones and tablet computers. Preparation methods for each compound are presented to show which techniques have been successful. Structures and phase diagrams are presented where applicable to aid in understanding the complexities of the topics discussed.

With concise descriptions presenting the chemical, physical and electrical properties of any given compound, this subject matter will serve as an introduction to the field. This compendium is vital for students and scientific researchers in all fields of scientific endeavors, including non-chemists.
2013 Honorable Mention in Chemistry & Physics from the Association of American Publishers' PROSE Awards Presents a systematic coverage of all known alkaline earth inorganic compounds and their propertiesProvides a clear, consistent presentation based on groups facilitatating easy comparisons Includes the structure of all the compounds in high quality full-color graphics Summarizes all currently known properties of the transition metals compounds Lists the uses and applications of these compounds in electronics, energy, and catalysis