This timely and unique publication is designed for graduate students and researchers in inorganic and materials chemistry and covers bonding models and applications of symmetry concepts to chemical systems. The book discusses the quantum mechanical basis for molecular orbital concepts, the connections between molecular orbitals and localized views of bonding, group theory, bonding models for a variety of compounds, and the extension of these ideas to solid state materials in band theory. Unlike other books, the concepts are made tangible to the readers by guiding them through their implementation in MATLAB functions. No background in MATLAB or computer programming is needed; the book will provide the necessary skills. Key Features Visualization of the Postulates of Quantum Mechanics to build conceptual understanding MATLAB functions for rendering molecular geometries and orbitals Do-it-yourself approach to building a molecular orbital and band theory program Introduction to Group Theory harnessing the 3D graphing capabilities of MATLAB Online access to a growing collection of applications of the core material and other appendices Bonding through Code is ideal for first-year graduate students and advanced undergraduates in chemistry, materials science, and physics. Researchers wishing to gain new tools for theoretical analysis or deepen their understanding of bonding phenomena can also benefit from this text. About the Author Daniel Fredrickson is a Professor in the Department of Chemistry at the University of Wisconsin-Madison, where his research group focuses on understanding and harnessing the structural chemistry of intermetallic phases using a combination of theory and experiment. His interests in crystals, structure, and bonding can be traced to his undergraduate research at the University of Washington (B.S. in Biochemistry, 2000) with Prof. Bart Kahr, his Ph.D. studies at Cornell University (2000-2005) with Profs. Stephen Lee and Roald Hoffmann, and his post-doctoral work with Prof. Sven Lidin at Stockholm University (2005-2008). As part of his teaching at UW-Madison since 2009, he has worked to enhance his department's graduate course, Physical Inorganic Chemistry I: Symmetry and Bonding, through the incorporation of new material and the development of computer-based exercises.

This book is intended to serve as a textbook for advanced undergraduate and graduate students as well as professionals engaged in application of thermo-fluid science to the study of combustion. The relevant thermo-chemistry and thermo-physical data required for this study are provided in the 6 appendices along with appropriate curve-fit coefficients. To facilitate gradual learning, two chapters are devoted to thermodynamics of pure and gaseous mixture substances, followed by one chapter each on chemical equilibrium and chemical kinetics. This material when coupled with a dedicated chapter on understanding of equations governing transport of momentum, heat and mass in the presence of chemical reactions provides adequate grounding to undertake analysis of practical combustion equipment, of premixed and diffusion flames as well as of solid particle and liquid droplet combustion. The learnings from the aforementioned chapters are taken to a uniquely strong chapter on application case studies, some of which have special relevance for developing countries.

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

Describing non-equilibrium "cold" plasmas through a chemical physics approach, this book uses the state-to-state plasma kinetics, which considers each internal state as a new species with its own cross sections. Extended atomic and molecular master equations are coupled with Boltzmann and Monte Carlo methods to solve the electron energy distribution function. Selected examples in different applied fields, such as microelectronics, fusion, and aerospace, are presented and discussed including the self-consistent kinetics in RF parallel plate reactors, the optimization of negative ion sources and the expansion of high enthalpy flows through nozzles of different geometries.

The book will cover the main aspects of the state-to-state kinetic approach for the description of nonequilibrium cold plasmas, illustrating the more recent achievements in the development of kinetic models including the self-consistent coupling of master equations and Boltzmann equation for electron dynamics. To give a complete portrayal, the book will assess fundamental concepts and theoretical formulations, based on a unified methodological approach, and explore the insight in related scientific problems still opened for the research community.

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.

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.

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.

Lead-Acid Batteries for Future Automobiles provides an overview on the innovations that were recently introduced in automotive lead-acid batteries and other aspects of current research. Innovative concepts are presented, some of which aim to make lead-acid technology a candidate for higher levels of powertrain hybridization, namely 48-volt mild or high-volt full hybrids. Lead-acid batteries continue to dominate the market as storage devices for automotive starting and power supply systems, but are facing competition from alternative storage technologies and being challenged by new application requirements, particularly related to new electric vehicle functions and powertrain electrification.

This thesis presents a series of experimental techniques based on scanning probe microscopy, which make it possible access the degree of freedom of protons both in real and energy space. These novel techniques and methods allow direct visualization of the concerted quantum tunneling of protons within the hydrogen-bonded network and quantification of the quantum component of a single hydrogen bond at a water-solid interface for the first time. Furthermore, the thesis demonstrates that the anharmonic quantum fluctuations of hydrogen nuclei further weaken the weak hydrogen bonds and strengthen the strong ones. However, this trend was reversed when the hydrogen bond coupled to the local environment. These pioneering findings substantially advance our understanding of the quantum nature of H bonds at the molecular level.

Calculations in Chemical Kinetics for Undergraduates aims to restore passion for problem solving and applied quantitative skills in undergraduate chemistry students. Avoiding complicated chemistry jargon and providing hints and step wise explanations in every calculation problem, students are able to overcome their fear of handling mathematically applied problems in physical chemistry. This solid foundation in their early studies will enable them to connect fundamental theoretical chemistry to real experimental applications as graduates. Additional Features Include: Contains quantitative problems from popular physical chemistry references. Provides step by step explanations are given in every calculation problem. Offers hints to certain problems as "points to note" to enable student comprehension. Includes solutions for all questions and exercises. This book is a great resource for undergraduate chemistry students however, the contents are rich and useful to even the graduate chemist that has passion for applied problems in physical chemistry of reaction Kinetics.

Calculations in Chemical Kinetics for Undergraduates aims to restore passion for problem solving and applied quantitative skills in undergraduate chemistry students. Avoiding complicated chemistry jargon and providing hints and step wise explanations in every calculation problem, students are able to overcome their fear of handling mathematically applied problems in physical chemistry. This solid foundation in their early studies will enable them to connect fundamental theoretical chemistry to real experimental applications as graduates. Additional Features Include: Contains quantitative problems from popular physical chemistry references. Provides step by step explanations are given in every calculation problem. Offers hints to certain problems as "points to note" to enable student comprehension. Includes solutions for all questions and exercises. This book is a great resource for undergraduate chemistry students however, the contents are rich and useful to even the graduate chemist that has passion for applied problems in physical chemistry of reaction Kinetics.

With contributions from experts from both academia and industry, this book provides up-to-date reviews and promising approaches for corrosion control of metals and alloys via sustainable biopolymers and carbon nanomaterials coatings, focusing on the wonder material "graphene" which is more solid than steel. This book delivers essential information for improving the environmental and economic viability of current coating technologies. It is also a valuable reference for those who are interested in corrosion science and corrosion protection including professionals from the industry as well as academia.

The field of cluster sciences is currently attracting considerable interest, not only from a fundamental viewpoint but also in relation to future applications to electronic, optical and magnetic devices. Synthesizing specific clusters as a component of useful nanostructures or controlling them as an assembly of nanocomposites is the ultimate aim. In order to understand how to synthesize individual clusters or to investigate properties such as chemical reaction, structural stability, response to external fields, aggregation and phase transitions, a variety of first-principles and empirical calculations and related computer simulations have been performed alongside numerous experiments. This book compiles and collates recent theoretical and experimental advances in the field and demonstrates how the harmony between theory and experiment is contributing to the continuing rapid progress. It will be of interest to both researchers as well as students and newcomers seeking an up-to-date review.

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.

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 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.

- Covers topics such as fundamentals of electrochemistry for energy applications of COFs not covered in competing titles - Provides details about recent methods used for synthesis and characterization of COFs-based nanomaterials, particularly of energy applications - Covers the state-of-the-art development in COFs and their applications in green energy generation and storage - Widens fundamentals about COFs and mechanisms for realization and advancement in devices with improved energy efficiency and high storage capacity - Provides new directions to scientists, researchers, and students to better understand the principle, technologies, and applications of COFs

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.

Details the use of advanced AFMs and addresses all types of functional AFMs First book to focus on application of AFM for energy research Enables readers to operate an AFM successfully and to understand the data obtained Covers new achievements in AFM instruments, including higher speed and resolution, automatic and deep learning AFM, and how AFM is being combined with other new methods like IR and Raman microscopy

Giant vesicles or giant liposomes are supramolecular assembles of amphiphiles, surface active substances which normally contain one or two hydrophobic chains and one hydrophilic head. Due to their relatively large size, giant vesicles are easily observed by light microscopy. This volume provides an overview of ideas and results obtained from experimental studies as well as theoretical approaches. A wide variety of aspects ranging from pure mathematics and physical considerations to biochemical and biological applications are covered. Historical and fundamental aspects are discussed as well as a range of experimental approaches including the micromanipulation and micro-puncturing of single giant vesicles. 87 international contributors comment on a wide range of issues contained under the five main part headings: Introduction Preparation Methods Basic Theoretical Aspects Physical Properties Chemical and Biological Aspects. Giant Vesicles has been written for researchers in the fields of chemistry, biochemistry and biophysics, working in supra-molecular chemistry, surfactant science, liposome and pharmaceutical sciences.

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

Modern computers are now capable of calculating many complex gas flows from the motion of individual molecules. This book outlines the molecular theory of gas dynamics and describes in detail the direct simulation Monte Carlo (or DSMC) method.

This new edition was reprinted without the need to include a disk, this is due to the fact that upgraded versions can be downloaded from the authors web site

test & check test entity &eacute; This new edition includes calculations that computers were not powerful enough to achieve when the first edition came out in 1976. This is the definitive work for researchers in rarefied gas dynamics. For more information visit the authors website on <a href=" http://ourworld.compuserve.com/homepages/gabird/">test link</a>

Energy Sources: Fundamentals of Chemical Conversion Processes and Applications provides the latest information on energy and the environment, the two main concerns of any progressive society that hopes to be sustainable in the future. Continuous efforts have to be exercised in both these areas by any of the developing communities, as concern over energy conversion continues to evolve due to various ecological imbalances, including climate change. This book provides the fundamentals behind all energy conversion processes, identifies future research needs, and discusses the potential application of each process in a clear-and-concise manner. It is a valuable source for both chemists and chemical engineers who are working to improve current and developing future energy sources, and is a single reference that deals with almost all energy sources for these purposes, reviewing the fundamentals, comparing the various processes, and suggesting future research directions.

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.