This monograph describes metabolic and transport reactions of muscle cells using the laws of chemical thermodynamics. In particular, the thermodynamics of irreversible processes are used to formulate coupled reactions and their outcome on steady state cycling. The effects of ATP cycling on energy metabolism and heat production is described. The results of mathematical simulations of metabolism are used to underline theoretical approaches.

In the first volume, Professors Poole and Farach provided one of the first definitive reference tools for this field. In this second volume, the authors present a comprehensive source for subfields of ESR not covered in the first volume, including: * Sensitivity * Field Swept versus Frequency Swept Spectra * Resonators * Line Shapes * Electron Spin Echo Envelope Modulation * Hamiltonian types and symmetries * ESR Imaging * High Magnetic Fields and High Frequencies. Written by recognized experts in the field, and intended for students and researchers, these handbooks bring together wide-ranging data from diverse disciplines within ESR, and then integrate it into a comprehesive and definitive resource. An invaluable reference for all those involved in ESR research.

This book underscores the essential principles of photocatalysis and provides an update on its scientific foundations, research advances, and current opinions, and interpretations. It consists of an introduction to the concepts that form the backbone of photocatalysis, from the principles of solid-state chemistry and physics to the role of reactive oxidizing species. Having recognised the organic link with chemical kinetics, part of the book describes kinetic concepts as they apply to photocatalysis. The dependence of rate on the reaction conditions and parameters is detailed, the retrospective and prospective aspects of the mechanism of photocatalysis are highlighted, and the adsorption models, photocatalytic rate expressions, and kinetic disguises are examined. This book also discusses the structure, property, and activity relationship of prototypical semiconductor photocatalysts and reviews how to extend their spectral absorption to the visible region to enable the effective use of visible solar spectrum. Lastly, it presents strategies for deriving substantially improved photoactivity from semiconductor materials to support the latest applications and potential trends.

This book addresses primarily the engineer in industrial process development, the research chemist in academia and industry, and the graduate student intending to become a reaction engineer. In industry, competitive pressures put a premium on scale-up by large factors to cut development time. To be safe, such development should be based on "fundamental" kinetics that reflect the elementary steps of which the reaction consists. The book forges fundamental kinetics into a practical tool by presenting new, effective methods for elucidation of mechanisms and reduction of complexity without unacceptable sacrifice in accuracy: fewer equations (lesser computational load), fewer coefficients (fewer experiment to determine them). For network elucidation, new rules relating network configurations to observable kinetic behaviour allow incorrect networks to be ruled out by whole classes instead of one by one. For modelling, general equations and algorithms are given from which equations for specific networks can be recovered by simple substitutions.

The procedures are illustrated with examples of industrial reactions including, among others, paraffin oxidation, ethoxylation, hydroformylation, hydrocyanation, shape-selective catalysis, ethane pyrolysis, styrene polymerization, and ethene oligomerization. Many of the rate equations have not been published before.

The expanded edition of the 2001 title, Kinetics of Homogeneous Multistep Reactions includes new chapters on heterogeneous catalysis and periodic and chaotic re-actions; new sections on adsorption, statistical methods, and lumping; and other new detail.
* Contains new chapters on heterogeneous catalysis, oscillations and chaos
* Includes new sections on statistical methods, lumping adsorption and software and databases
* Provides a better understanding of complex reaction mechanisms

Density Functional Theory (DFT) has firmly established itself as the workhorse for atomic-level simulations of condensed phases, pure or composite materials and quantum chemical systems. This work offers a rigorous and detailed introduction to the foundations of this theory, up to and including such advanced topics as orbital-dependent functionals as well as both time-dependent and relativistic DFT. Given the many ramifications of contemporary DFT, the text concentrates on the self-contained presentation of the basics of the most widely used DFT variants: this implies a thorough discussion of the corresponding existence theorems and effective single particle equations, as well as of key approximations utilized in implementations. The formal results are complemented by selected quantitative results, which primarily aim at illustrating the strengths and weaknesses of particular approaches or functionals. The structure and content of this book allow a tutorial and modular self-study approach: the reader will find that all concepts of many-body theory which are indispensable for the discussion of DFT - such as the single-particle Green's function or response functions - are introduced step by step, along with the actual DFT material. The same applies to basic notions of solid state theory, such as the Fermi surface of inhomogeneous, interacting systems. In fact, even the language of second quantization is introduced systematically in an Appendix for readers without formal training in many-body theory.

The unfortunate and serious accident at the nuclear power plants in Fukushima, Japan caused by the earthquake and tsunami in March 2011 dealt Japan a serious blow. Japan was nearly deprived of electric power when in response to the accident all nuclear reactors in Japan were shut down. This shortage further accelerated the introduction of renewable energies. This book surveys the new materials and approaches needed to use nanotechnology to introduce the next generation of advanced lithium batteries, currently the most promising energy storage devices available. It provides an overview of nanotechnology for lithium batteries from basic to applied research in selected high technology areas. The book especially focuses on near-term and future advances in these fields. All contributors to this book are expert researchers on lithium batteries.

Advances in the Theory of Atomic and Molecular Systems, is a collection of contributions presenting recent theoretical and computational developments that provide new insights into the structure, properties, and behavior of a variety of atomic and molecular systems. This volume (subtitled: Conceptual and Computational Advances in Quantum Chemistry) focuses on electronic structure theory and its foundations.

This volume is an invaluable resource for faculty, graduate students, and researchers interested in theoretical and computational chemistry and physics, physical chemistry and chemical physics, molecular spectroscopy, and related areas of science and engineering.

"Unravelling the Mystery of the Atomic Nucleus" is a history of atomic and nuclear physics. It begins in 1896 with the discovery of radioactivity, which leads to the discovery of the nucleus at the center of the atom. It follows the experimental discoveries and the theoretical developments up to the end of the Fifties.

Unlike previous books regarding on history of nuclear physics, this book methodically describes how advances in technology enabled physicists to probe the physical properties of nuclei as well as how the physical laws which govern these microscopic systems were progressively discovered. The reader will gain a clear understanding of how theory is inextricably intertwined with the progress of technology.

"Unravelling the Mystery of the Atomic Nucleus" will be of interest to physicists and to historians of physics, as well as those interested development of science.

Preparation of Liquid Crystalline Elastomers, by F. Brommel, D. Kramer, H. Finkelmann Applications of Liquid Crystalline Elastomers, by C. Ohm, M. Brehmer und R. Zentel Liquid Crystal Elastomers and Light, by Peter Palffy-Muhoray Electro-Opto-Mechanical Effects in Swollen Nematic Elastomers, by Kenji Urayama The Isotropic-to-Nematic Conversion in Liquid Crystalline Elastomers, by Andrija Lebar, George Cordoyiannis, Zdravko Kutnjak und Bostjan Zalar Order and Disorder in Liquid-Crystalline Elastomers, by Wim H. de Jeu und Boris I. Ostrovskii"

Specialist Periodical Reports provide systematic and detailed review coverage of progress in the major areas of chemical research. Written by experts in their specialist fields the series creates a unique service for the active research chemist, supplying regular critical in-depth accounts of progress in particular areas of chemistry. For over 80 years the Royal Society of Chemistry and its predecessor, the Chemical Society, have been publishing reports charting developments in chemistry, which originally took the form of Annual Reports. However, by 1967 the whole spectrum of chemistry could no longer be contained within one volume and the series Specialist Periodical Reports was born. The Annual Reports themselves still existed but were divided into two, and subsequently three, volumes covering Inorganic, Organic and Physical Chemistry. For more general coverage of the highlights in chemistry they remain a 'must'. Since that time the SPR series has altered according to the fluctuating degree of activity in various fields of chemistry. Some titles have remained unchanged, while others have altered their emphasis along with their titles; some have been combined under a new name whereas others have had to be discontinued.

This book focuses on a variety of photochemical reaction processes in the crystalline state. The crystalline state reaction is a new category of solid state reaction, in which a reaction occurs with retention of the single crystal form. The whole reaction processes were observed directly by X-ray and neutron diffractions. In this book, not only the structures of metastable intermediates, such as radicals, carbenes, and nitrenes, but also the unstable species of photochromic compounds and photo-excited structures are shown with colored figures of the molecular structures, with more than 200 figures. The book is an indispensable resource not only for organic, inorganic and physical chemists but also for graduate students, as it furnishes more than 300 references.

This book highlights the latest advances and outlines future trends in aqueous solvation studies from the perspective of hydrogen bond transition by charge injection, which reconciles the solvation dynamics, molecular nonbond interactions, and the extraordinary functionalities of various solutes on the solution bond network and properties. Focus is given on ionic and dipolar electrostatic polarization, O:H nonbond interaction, anti-HB and super-HB repulsion, and solute-solute interactions. Its target audience includes researchers, scientists, and engineers in chemistry, physics, surface and interface science, materials science and engineering.

Gerard van Koten: The Mono-anionic ECE-Pincer Ligand - a Versatile Privileged Ligand Platform: General Considerations.- Elena Poverenov, David Milstein: Non-Innocent Behavior of PCP and PCN Pincer Ligands of Late Metal Complexes.- Dean M. Roddick: Tuning of PCP Pincer Ligand Electronic and Steric Properties.- Gemma R. Freeman, J. A. Gareth Williams: Metal Complexes of Pincer Ligands: Excited States, Photochemistry, and Luminescence.- Davit Zargarian, Annie Castonguay, Denis M. Spasyuk: ECE-Type Pincer Complexes of Nickel.- Roman Jambor and Libor Dostal: The Chemistry of Pincer Complexes of 13 - 15 Main Group Elements.- Kalman J. Szabo: Pincer Complexes as Catalysts in Organic Chemistry.- Jun-ichi Ito and Hisao Nishiyama: Optically Active Bis(oxazolinyl)phenyl Metal Complexes as Multi-potent Catalysts.- Anthony St. John, Karen I. Goldberg, and D. Michael Heinekey: Pincer Complexes as Catalysts for Amine Borane Dehydrogenation.- Dmitri Gelman and Ronit Romm: PC(sp3)P Transition Metal Pincer Complexes: Properties and Catalytic Applications.- Jennifer Hawk and Steve Craig: Physical Applications of Pincer Complexes.

Free radicals are used as reactive intermediates in a wide range of organic syntheses as well as playing an important role in biological systems and industrial processes. Free radical chemistry is a rapidly developing area, with applications not only in chemistry but also in processes related to the environment, biology, drug research and medicine. General Aspects of the Chemistry of Radicals is an introductory book, discussing methods of formation and detection of free radicals, the rate of their reactions and their thermochemistry. The book closely examines the reactivity of free radical reactions, rate constants and temperature dependence, important in predicting the behaviour of yet unstudied systems and validating reaction mechanisms. General Aspects of the Chemistry of Radicals is written for researchers working in environmental and material sciences, organic, inorganic and physical organic chemistry. It will also be of interest to biochemists and molecular biologists working with the effects of free radicals on living systems.

Amit Agarwal's thesis reports a substantial contribution to the microscopic simulation of radiation chemical reactions. In his research Agarwal extends existing models to further understand scavenging, spin and relaxation effects. This research has advanced the development of both the Monte Carlo Random Flights and the Independent Reaction Times (IRT) simulation tools. Particular highlights are the extension of these tools to include both the spin-exchange interaction and spin relaxation, both of which are influential in radiolytic systems where many reactions are spin-controlled. In addition, the study has led to the discovery of a novel correlation of the scavenging rate with the recombination time in low permittivity solvents. This finding goes against existing assumptions underlying the theory of diffusion kinetics while still being accommodated in the IRT method which demonstrates the power of this unconventional approach. The work in this thesis can be applied to a wide number of fields including the nuclear industry, medicine, food treatment, polymer curing, the preparation of nano-colloids, power generation and waste disposal.

This book surveys state-of-the-art research on and developments in lithium-ion batteries for hybrid and electric vehicles. It summarizes their features in terms of performance, cost, service life, management, charging facilities, and safety. Vehicle electrification is now commonly accepted as a means of reducing fossil-fuels consumption and air pollution. At present, every electric vehicle on the road is powered by a lithium-ion battery. Currently, batteries based on lithium-ion technology are ranked first in terms of performance, reliability and safety. Though other systems, e.g., metal-air, lithium-sulphur, solid state, and aluminium-ion, are now being investigated, the lithium-ion system is likely to dominate for at least the next decade - which is why several manufacturers, e.g., Toyota, Nissan and Tesla, are chiefly focusing on this technology. Providing comprehensive information on lithium-ion batteries, the book includes contributions by the world's leading experts on Li-ion batteries and vehicles.

Friction force microscopy is an important analytical tool in the field of tribology on the nanometer-scale. The contact area between the probing tip and the sample is reduced to some square nanometers, corresponding to the ideal of a single asperity contact. Traditional concepts, such as friction coefficients, adhesion and elasticity and stick-slip are re-examined with this novel technique. New concepts based upon classical and quantum mechanics are investigated.

Biomedical Applications of Magnetic Particles discusses fundamental magnetic nanoparticle physics and chemistry and explores important biomedical applications and future challenges. The first section presents the fundamentals of the field by explaining the theory of magnetism, describing techniques to synthesize magnetic particles, detailing methods to characterize magnetic particles, and quantitatively describing the applied magnetic forces, torques, and the resultant particle motions. The second section describes the wide range of biomedical applications, including chemical sensors, cellular actuators, drug delivery, magnetic hyperthermia, magnetic resonance imaging contrast enhancement, and toxicity. Additional key features include: Covers both introduction to physics and characterization of magnetic nanoparticles and the state of the art in biomedical applications Authoritative reference for scientists and engineers for all new or old to the field Describes how the size of magnetic nanoparticles affects their magnetic properties, colloidal properties, and biological properties. Written by a team of internationally respected experts, this book provides an up-to-date authoritative reference for scientists and engineers.

The purpose of this book is to convey to the worldwide scientific community the rapid and enthusiastic progress of state-of-the-art quantum chemistry. Quantum chemistry continues to grow with remarkable success particularly due to rapid progress in supercomputers. The usefulness of quantum chemistry is almost limitless. Its application covers not only physical chemistry but also organic and inorganic chemistry, physics, and life sciences. This book deals with all of these topics. Frontiers of Quantum Chemistry is closely related to the symposium of the same name held at Kwansei Gakuin University at Nishinomiya, Japan, in November 2015. The book's contributors, however, include not only invited speakers at the symposium but also many other distinguished scientists from wide areas of quantum chemistry around the world.

Rasmus Brogaard's thesis digs into the fundamental issue of how the shape of a molecule relates to its photochemical reactivity. This relation is drastically different from that of ground-state chemistry, since lifetimes of excited states are often comparable to or even shorter than the time scales of conformational changes. Combining theoretical and experimental efforts in femto-second time-resolved photoionization Rasmus Brogaard finds that a requirement for an efficient photochemical reaction is the prearrangement of the constituents in a reactive conformation.
Furthermore, he is able to show that by exploiting a strong ionic interaction between two chromophores, a coherent molecular motion can be induced and probed in real-time. This way of using bichromophoric interactions provides a promising strategy for future research on conformational dynamics.

This text contains a collection of lectures presented at the NATO ASI on "Frontiers of Chemical Dynamics" in Kemer, Turkey. Even though these articles include and sometimes emphasize the latest developments in corresponding research fields, they all share a common denominator, namely, they are intended as lectures for students at various levels as well as scientists entering a new field. It can, therefore, be used as a supplementary textbook for graduate courses on chemical dynamics. The various aspects of dynamical problems are discussed by experimentalists, theoreticians and those who carry out "numerical experiments", although it is not always easy to distinguish between theory and experiment. Most of the topics discussed offer different approaches to the same problem which will give an overall picture.

This book of general analytical chemistry - as opposed to instrumental analysis or separation methods - in aqueous solutions is focuses on fundamentals, which is an area too often overlooked in the literature. Explanations abound of the chemical and physical principles of different operations of chemical analysis in aqueous solutions. Once these principle are firmly established, numerous examples of applications are also given.

Urea-SCR Technology for deNOx After Treatment of Diesel Exhausts presents a complete overview of the selective catalytic reduction of NOx by ammonia/urea. The book starts with an illustration of the technology in the framework of the current context (legislation, market, system configurations), covers the fundamental aspects of the SCR process (catalysts, chemistry, mechanism, kinetics) and analyzes its application to useful topics such as modeling of full scale monolith catalysts, control aspects, ammonia injections systems and integration with other devices for combined removal of pollutants.

This book presents a comprehensive survey about conducting polymers and their hybrids with different materials. It highlights the topics pertinent to research and development in academia and in the industry. The book thus discusses the preparation and characterization of these materials, as well as materials properties and their processing. The current challenges in the field are addressed, and an outline on new and even futuristic approaches is given. "Conducting Polymer Hybrids" is concerned with a fascinating class of materials with the promise for wide-ranging applications, including energy generation and storage, supercapacitors, electronics, display technologies, sensing, environmental and biomedical applications. The book covers a large variety of systems: one-, two-, and three-dimenstional composites and hybrids, mixed at micro- and nanolevel.

After his first book on the topic "Specific Intermolecular Interactions of Organic Compounds", Baev extends in this book the development of the thermodynamic theory of specific intermolecular interactions to a wider spectrum of nitrogenated and bioorganic compounds: amino alcohols, amino acids, peptides and urea derivatives. The fundamentals of an unconventional approach to the theory of H-bonding and specific interactions are formulated based on a concept of penta- coordinated carbon atoms. New types of hydrogen bonds and specific interactions are substantiated and on the basis of the developed methodology their energies are determined. The new concept of the extra stabilizing effect of isomeric methyl groups on the structure and stability of nitrogenated organic molecules and bioorganic compounds is introduced and the destabilization action on specific interactions is outlined.