This book presents a range of fundamentally new approaches to solving problems involving traditional molecular models. Fundamental molecular symmetry is shown to open new avenues for describing molecular dynamics beyond standard perturbation techniques. Traditional concepts used to describe molecular dynamics are based on a few fundamental assumptions, the ball-and-stick picture of molecular structure and the respective perturbative treatment of different kinds of couplings between otherwise separate motions. The book points out the conceptual limits of these models and, by focusing on the most essential idea of theoretical physics, namely symmetry, shows how to overcome those limits by introducing fundamentally new concepts. The book begins with an introduction to molecular symmetry in general, followed by a discussion of nuclear spin symmetry. Here, a new correlation between identical particle exchange and spin angular momentum symmetry of nuclei is exhibited. The central part of the book is the discussion of extremely floppy molecules, which are not describable in the framework of traditional theories. The book introduces a fundamentally new approach to describing the molecular dynamics of these molecules - the super-rotor model, which is based on a five-dimensional symmetry that has never been observed in molecules before. By applying the super-rotor theory to the prototype of floppy molecules, protonated methane, this model can consistently predict the symmetry and energy of low-energy states, which were characterized experimentally only a few years ago. The theoretical predictions agree with the experimental results, which makes the prospect of further developing the super-rotor theory and applying it to other molecules a promising one. In the final section, the book also covers the topic of ultrafast rotations, where usual quantum calculations reach their natural limits. A semi-classical method for determining rotational energies, developed in the early 1990s, is shown to be attachable to quantum calculations of the vibrational states. This new combined method is suitable for efficiently calculating ro-vibrational energies, even for molecular states with large angular momentum.

This book describes the ultra-short laser–matter interactions from the subtle atomic motion to the generation of extreme pressures inside the bulk of a transparent crystal. It is the successor to Femtosecond Laser–Matter Interactions: Theory, Experiment and Applications (2011). Explanation and experimental verification of the exceptional technique for the phase transformations under high pressure are in the core of the book. The novel phase formation occurs along the unique solid-plasmasolid transformation path: the memory of the initial state is lost after conversion to plasma. New phase forms from chaos during the cooling to the ambient. The pressure-affected material remains detained inside a pristine crystal at the laboratory tabletop. Unique super-dense aluminium and new phases of silicon were created by the confined micro-explosions. The text also describes the recent studies that used the quasi-non-diffracting Bessel beams. The applications comprise the new high-pressure material formation and micromachining. The book is an appealing source for readers interested in the cutting-edge research exploring extreme conditions and creating nanostructures at the laboratory tabletop.

The "flipped classroom" has become the new buzzword not only among educators but also in the general public, with articles in the USA Today, Washington Post, and The New York Times discussing this pedagogical approach. Simply stated, the flipped classroom is a high tech variation on a pedagogical method that has been around for generations. The time honored Socratic method aims to actively engage students with instructors asking them questions, leading them down a path where they are encouraged to see the connections between ideas. Additionally, flipped classrooms resemble the Thayer method, which expects students to take responsibility for their own learning by studying material before it is covered in class. Chemistry professors who teach in flipped classrooms embrace a variety of learning theories to guide their implementations. Most chemists who use active learning approaches in their classrooms value some aspect of constructivism theory, in which learners must begin their understanding of the concepts in their pre-class assignments. Later, students apply the concepts in class using active learning methods. For this book, the authors define the flipped classroom as one where students gain exposure to course content before class and the face-to-face time involves active learning. The call for and relevance of larger reform efforts in chemical education is not new and this book represents a continuation in the possibilities in achieving reform and meeting the goals of improving students' knowledge of chemistry. Muzyka and Luker provide a deeper, more encompassing picture of the cognitive and affective benefits of this pedagogy.

Plasma methods that effectively combine ultraviolet radiation, active chemicals, and high electric fields offer an alternative to conventional water treatment methods. However, knowledge of the electric breakdown of liquids has not kept pace with this increasing interest, mostly due to the complexity of phenomena related to the plasma breakdown process. Plasma Discharge in Liquid: Water Treatment and Applications provides engineers and scientists with a fundamental understanding of the physical and chemical phenomena associated with plasma discharges in liquids, particularly in water. It also examines state-of-the-art plasma-assisted water treatment technologies. The Physics & Applications of Underwater Plasma Discharges The first part of the book describes the physical mechanism of pulsed electric breakdown in water and other liquids. It looks at how plasma is generated in liquids and discusses the electronic and bubble mechanism theories for how the electric discharge in liquid is initiated. The second part of the book focuses on various water treatment applications, including: Decontamination of volatile organic compounds and remediation of contaminated water Microorganism sterilization and other biological applications Cooling water treatment Drawing extensively on recent research, this one-stop reference combines the physics and applications of electric breakdown in liquids in a single volume. It offers a valuable resource for scientists, engineers, and students interested in the topic of plasmas in liquids.

Electrochemistry of Porous Materials describes essential theoretical aspects of the electrochemistry of nanostructured materials and primary applications, incorporating the advances in the field in the last ten years including recent theoretical formulations and the incorporation of novel materials. Concentrating on nanostructured micro- and mesoporous materials, the highly anticipated Second Edition offers a more focused and practical analysis of key porous materials considered relatively homogeneous from an electrochemical point of view. The author details the use of electrochemical methods in materials science for characterization and their applications in the fields of analysis, energy production and storage, environmental remediation, and the biomedical arena. Additional features include: Incorporates new theoretical advances in the voltammetry of porous materials and multiphase porous electrochemistry. Includes new developments in sensing, energy production and storage, degradation of pollutants, desalination and drug release. Describes redox processes for different porous materials, assessing their electrochemical applications. Written at an accessible and understandable level for researchers and graduate students working in the field of material chemistry. Selective and streamlined, Electrochemistry of Porous Materials, Second Edition culls a wide range of relevant and practically useful material from the extensive literature on the subject, making it an invaluable reference for readers of all levels of understanding.

Macroscopic cellular structures and functions are generally investigated using biological and biochemical approaches. But these methods are no longer adequate when one needs to penetrate deep into the small-scale structures and understand their functions. The cell is found to hold various physical structures, molecular machines, and processes that require physical and mathematical approaches to understand and indeed manipulate them. Disorders in general cellular compartments, perturbations in single molecular structures, drug distribution therein, and target specific drug-binding, etc. are mostly physical phenomena. This book will show how biophysics has revolutionized our way of addressing the science and technology of nanoscale structures of cells, and also describes the potential for manipulating the events that occur in them.

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.

The sixth edition of this highly successful textbook provides a detailed introduction to Monte Carlo simulation in statistical physics, which deals with the computer simulation of many-body systems in condensed matter physics and related fields of physics and beyond (traffic flows, stock market fluctuations, etc.). Using random numbers generated by a computer, these powerful simulation methods calculate probability distributions, making it possible to estimate the thermodynamic properties of various systems. The book describes the theoretical background of these methods, enabling newcomers to perform such simulations and to analyse their results. It features a modular structure, with two chapters providing a basic pedagogic introduction plus exercises suitable for university courses; the remaining chapters cover major recent developments in the field. This edition has been updated with two new chapters dealing with recently developed powerful special algorithms and with finite size scaling tools for the study of interfacial phenomena, which are important for nanoscience. Previous editions have been highly praised and widely used by both students and advanced researchers.

The work describes the production technology of standard medical radionuclides using reactors and cyclotrons for patient diagnosis and therapy. A special focus lies on the science and technology involved in the development of novel radionuclides for positron emission tomography (PET) and internal targeted radiotherapy. The availability of those radionuclides is opening up new potential in clinical research, especially in neurology, cardiology and oncology. The future perspectives of the developing technology are also discussed.

Covers all aspects of gold nanorods along with selected protocols Focuses on synthetic chemistry, optical property, and fictionalization approach of colloidal gold nanorods Describes standard synthetic methods and advantage of gold nanorods in biomedical applications Includes authentic and reproducible experimental procedures Discusses applications like redox catalyst, catalyst promoter, delivery carrier, solar cell material, and so forth

The fragment molecular orbital (FMO) method is a fast linear-scaling quantum-mechanical method employed by chemists and physicists all over the world. It provides a wealth of properties of fragments from quantum-chemical calculations, a bottomless treasure pit for data mining and machine learning. However, there is no user-friendly description of its usage in the widely employed quantum-chemical open-source software GAMESS, nor is there any book covering the usage of GAMESS in general. This leaves very many interested users to their own devices to get through a variety of problems with very cryptic descriptions of keywords in the program manual and no guide whatsoever as to what options should be set for particular scientific tasks. This book is the panacea to many frustrations.The main focus of the book is to build a solid bridge connecting FMO users to GAMESS, by giving a helpful introduction of various FMO methods as needed for particular problems found in computational chemistry, and describing in detail how to do these simulations and understand the results from the output of the program. The book also covers parallelization strategies for attaining high parallel efficiency in massively parallel computations, and provides means to analyze performance and design a solution for overcoming performance bottlenecks. A special section is devoted to dealing with problems in executing GAMESS, arising from computational environment and user errors. Finally, 14 carefully selected types of applications are discussed in detail, describing the input keywords and explaining where to find the main results in the text-based output.

A stand-alone, monograph present results on mechanochemical synthesis of nanostructured composite materials on the base of inorganic and organic components The book summarizes and systematizes the results of a fundamentally new complex approach to the creation of composite polymer-inorganic systems by mechanochemical treatment, both as a result of the traditional approach with the use of dynamic mills (mechanical reactors) and ultrasonic action on powder mixtures In addition, the book will present a chapter that will focus on the method of mechanochemical preparation of materials for high-energy systems, which are the most promising, since it allows the most productive management of the formation of new structural compositions that increase the energy intensity of the system.

Summarizes current recycling processes, challenges, and perspectives. Offers a comprehensive review of current commercialized LIB recycling companies. Showcases an innovative closed-loop hydrometallurgical recycling process to recycle lithium cathode materials. Provides detailed modelling and economic analysis of several hydrometallurgical recycling processes. Features practical cases and data developed by the authors.

The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field. Review articles for the individual volumes are invited by the volume editors. Readership: research chemists at universities or in industry, graduate students

Describes various electrochemical processes related to the renewable compounds, including hydrogen evolution, oxygen evolution, oxygen reduction, carbon dioxide reduction, nitrogen reduction, methanol oxidation, urea oxidation and ammonia oxidation. Highlights fundamental aspects, catalysts designing principles and measurement criteria of different electrochemical transformations. Covers the important electrocatalysts, including transition metal phosphide-based electrocatalysts, earth-abundant electrocatalysts, graphene-supported nanomaterials, self-supported nanoarrays, single-atom catalysts and MOFs derived electrocatalysts. Explores the strategies and mechanisms for improving the electrocatalytic performance of various electrocatalysts. Discusses future development of renewable compounds produced by electrochemical transformation.

This book explores fascinating topics at the edge of life, guiding the reader all the way from the relation of life processes to the second law of thermodynamics and the abundance of complex organic compounds in the universe through to the latest advances in synthetic biology and metabolic engineering. The background to the book is the extraordinary scientific adventures that are being undertaken as progress is made toward the creation of an artificial cell and the control of life processes. This journey involves input from research areas as diverse as genetic engineering, physical chemistry, and information theory. Life is to be thought of not only as a chemical event but also as an information process, with the genome a repository of information gathered over time through evolution. Knowledge of the mechanisms affecting the increase in complexity associated with evolutionary paths is improving, and there appear to be analogies with the evolution of the technologies promoting the development of our society. The book will be of wide interest to students at all levels and to others with an interest in the subject.

The book presents a critical and comprehensive account of Non-equilibrium Physical Chemistry from theoretical and experimental angle. It covers a wide spectrum of non-equilibrium phenomena from steady state close to equilibrium to non-linear region involving transition to bistability, temporal oscillations, spatio-temporal oscillations and finally to far from equilibrium phenomena such as complex pattern formation, dynamic instability at interfaces, Chaos and complex growth phenomena (fractals) in Physico-chemical systems.
Part I of the book deals with theory and experimental studies concerning transport phenomena in membranes (Thermo-osmosis, Electroosmotic ) and in continuous systems (Thermal diffusion, Soret effect) close to equilibrium Experimental tests provide insight into the domain of validity of Non-equilibrium Thermodynamics, which is the major theoretical tool for this region. Later developments in Extended Irreversible Thermodynamics and Non-equilibrium Molecular dynamics have been discussed in the Appendix.
Part II deals with non-linear steady states and bifurcation to multistability, temporal and spatio- temporal oscillations (Chemical waves). Similarly Part II deals with more complex phenomena such as Chaos and fractal growth occurring in very far from equilibrium region. Newer mathematical techniques for investigating such phenomena along with available experimental studies.
Part IV deals with analogous non-equilibrium phenomena occurring in the real systems (Socio-political, Finance and Living systems etc.) for which physico-chemical systems discussed in earlier chapters provide a useful model for development of theories based on non-linear science and science of complexity.
Key Features:
- The book provides a critical account of theoretical studies on non-equilibrium phenomenon from region close to equilibrium to far equilibrium.
- Experimental studies have been reported which provide test of the theories and their limitations.
- Impacts of the concepts developed in non-equilibrium Physical Chemistry in sociology, economics and other social science and living systems has been discussed.

Currently, the reliance on fossil fuels raises concerns on the increasing global energy demand, the rapid anthropogenic climate changes and growing environmental problems. The grand challenge is to search for viable carbon-neutral sources of renewable energy. Nanomaterials are arguably the base that integrates nanotechnology, information technology, and biotechnology; the major drivers of technological development today. Over the past decades, the understanding of form-function relations surrounding nanomaterials has significantly brightened the prospects of the transition from fossil fuels to solar fuels. This book introduces the latest developments in nanomaterials aimed at the applications in clean energy areas. It overviews the close link between nanomaterials development and energy applications from the experience and perspective of the authors. It discusses the bottom-up synthesis and interface engineering of new materials of different dimensions and describes their applications in future energy devices such as secondary batteries, novel solar cells, luminescent devices, and water splitting electrolyzers. .

Introduces evolution of nanoparticles in the electrochemical energy storage devices Provides step-by-step synthesis of nanoparticles Discusses different characterization methods (Structural, Electrical, Optical, and Thermal) Includes use of nanoparticles in various electrochemical devices Aims to bridge the gap between the material synthesis and the real application including Q&A in each chapter

This book presents a new system of solar cells. Colloidal nanocrystals possess many physical and chemical properties which can be manipulated by advanced control over structural features like the particle size. One application field is photovoltaics where colloidal semiconductor nanocrystals are explored as components of photo-active layers which can be produced from liquid media, often in combination with conductive polymers. The further development of this interdisciplinary field of research requires a deep understanding of the physics and chemistry of colloidal nanocrystals, conducting polymers and photovoltaic devices. This book aims at bridging gaps between the involved scientific disciplines and presents important fundamentals and the current state of research of relevant materials and different types of nanoparticle-based solar cells. The book will be of interest to researchers and PhD students. Moreover, it may also serve to accompany specialized lectures in related areas.

While books have been written on many topics of Polymer Science,no comp- hensive treatise o n l ong-chain b ranching has e ver b een c omposed.This se ries o f reviews in Volume 142 an d 143 o f Advances in P olymer Science tries to fill this gap by highlighting active areas of research on branched polymers. Long-chain branching is a p henomenon observed in s ynthetic polymers and in some natural polysaccharides.It has l ong been r ecognized as a ma jor molecular parameter of macromolecules.Its presence was first surmised by H.Staudinger and G.V.Schulz (Ber.68,2320,1935).Interestingly,their method of identifica- on b y m eans o f the a bnormal r elation b etween in trinsic viscosity an d mo lecular weight has s urvived to this day.Indeed,the most sophisticated method for a- lysis o f long-chain b ranching use s size ex clusion fractionation with the simul- neous recording of mass,molecular weight and intrinsic viscosity of the fr- tions.

This book deals with the Laser-Induced Breakdown Spectroscopy (LIBS) a widely used atomic emission spectroscopy technique for elemental analysis of materials. It is based on the use of a high-power, short pulse laser excitation. The book is divided into two main sections: the first one concerning theoretical aspects of the technique, the second one describing the state of the art in applications of the technique in different scientific/technological areas. Numerous examples of state of the art applications provide the readers an almost complete scenario of the LIBS technique. The LIBS theoretical aspects are reviewed. The book helps the readers who are less familiar with the technique to understand the basic principles. Numerous examples of state of the art applications give an almost complete scenario of the LIBS technique potentiality. These examples of applications may have a strong impact on future industrial utilization. The authors made important contributions to the development of this field.

Guides the reader into the mysteries of water. Provides a state-of-the-art overview in computer simulations and experiments on water. Brings together leading scientists in the field of water.

This book introduces recent progress in biological energetics from ATP hydrolysis to molecular machineries. The role of water is now recognized to be essential in biological molecular energetics. Although energetics is a rather distant field to many biologists, any working models for protein machineries such as protein motors, transporters, and other enzymes must be consistent with their energetics. Therefore, the book is intended to help scientists build systematic models of biomolecular functions based on three categories: (1) ATP hydrolysis reactions including ionic hydration and protonation-deprotonation of biomolecules, (2) protein-ligand/protein-protein interactions including hydration-dehydration processes, and (3) functioning mechanisms of protein machineries based on water functions.

The author illustrates why the rather weak hydrogen bond is so essential for our everyday life in a lively and entertaining way. The chemical and physical fundamentals are explained with examples ranging from the nature of water over the secret of DNA to adhesives and modern detergents. The interdisciplinary science is easy to understand and hence a great introduction for chemists, biologists and physicists.