The subject of this book is truly original. By encoding of algebraic equations into graphs-originally a purely pedagogical technique-the exploration of physics and physical chemistry reveals common pictures through all disciplines. The hidden structure of the scientific formalism that appears is a source of astonishment and provides efficient simplifications of the representation of physical laws. Understanding Physics and Physical Chemistry Using Formal Graphs is organized according to the structures emerging from formal graphs, from simple to elaborate, providing after each series of case studies the theoretical elements necessary for understanding their common features. More than 80 case studies are tackled in domains ranging from translational mechanics to Newtonian gravitation to chemical reactions. With the help of this new tool, the modeling of physical phenomena becomes a fascinating cross-disciplinary exploration. The graphs encourage a visual, unified comprehension of the relationships between physical concepts and variables, properties, and operators. Out-of-the-box and thought provoking, this book inspires lively discussions and fruitful thinking about the connections between mechanics, chemical reactivity, electrodynamics, thermodynamics, and more.

This monograph consists of the proceedings of the Fifth International Symposium on the Activation of Dioxygen and Homogeneous Catalytic Oxidation, held in College Station, Texas, March 14-19, 1993. It contains an introductory chapter authored by Professors D. H. R. Barton and D. T. Sawyer, and twenty-nine chapters describing presentations by the plenary lecturers and invited speakers. One of the invited speakers, who could not submit a manuscript for reasons beyond his control, is represented by an abstract of his lecture. Also included are abstracts of forty-seven posters contributed by participants in the symposium. Readers who may wish to know more about the subjects presented in abstract form are invited to communicate directly with the authors of the abstracts. This is the fifth international symposium that has been held on this subject. The first was hosted by the CNRS, May 21-29, 1979, in Bendor, France (on the Island of Bandol). The second meeting was organized as a NATO workshop in Padova, Italy, June 24-27, 1984. This was followed by a meeting in Tsukuba, Japan, July 12-16, 1987. The fourth symposium was held at Balatonfured, Hungary, September 10-14, 1990. The sixth meeting is scheduled to take place in Delft, The Netherlands (late Spring, 1996); the organizer and host will be Professor R. A. Sheldon.

Concepts, procedures and programs described in this book make it possible for readers to solve both simple and complex equilibria problems quickly and easily and to visualize results in both numerical and graphical forms. They allow the user to calculate concentrations of reactants and products for both simple and complicated situations. The user can spend less time doing calculations and more time thinking about what the results mean in terms of a larger problem in which she or he may be interested.

From reviews of the series:
'Many of the articles are indeed accessible to any interested nonspecialist, even without theoretical background.'
Journal of the American Chemical Society
'...an invaluable resource for the serious molecular modeler.' Chemical Design Automation News

The authors examine topics in modern physics and offer a unitary and original treatment of the fundamental problems of the dynamics of physical systems, as well as a description of the nuclear matter within a framework of general relativity. They show that some physical phenomena studied at two different resolution scales (e.g. microscale, cosmological scale), apparently with no connection between them, become compatible by means of the operational procedures, acting either as some "hidden" symmetries, or harmonic-type mappings. The book is addressed to the students, researchers and university/high school teachers working in the fields of mathematics, physics, and chemistry.

Experiments in Nuclear Science is an introductory-level laboratory manual providing hands-on opportunities for developing insights into the origins and properties of nuclear radiations, their interactions with matter, their detection and measurement, and their applications in the physical and life sciences. Based on experiments successfully performed by hundreds of students at Rutgers University and the University of Wisconsin, this manual can be used as a stand-alone volume or alongside a textbook such as Introduction to Nuclear Science by Jeff C. Bryan. Relevant to a range of courses Each of the 32 exercises includes an overview of the scientific phenomenon, instructions for conducting the experiments and recording the data, directions for analyzing the data and reporting the results, specific questions relating to the experiments, and several problems relating to the scientific phenomena being investigated. Validated for safety and pedagogy in the undergraduate instructional laboratory, the exercises can be used in an undergraduate course in nuclear science. Individual exercises can also be adopted to demonstrate fundamental principles in a general science course as well as introductory biology and chemistry courses. Making use of off-the-shelf instrumentation, these exercises can be performed in a conventional laboratory under the supervision of an experienced instructor. Applicable to numerous career fields Demonstrating fundamental principles, the concepts explored through these experiments are relevant to a host of career opportunities, including those in the health sciences, the nuclear power industry, regulatory agencies, and waste management services.

Introduction to Chemical Graph Theory is a concise introduction to the main topics and techniques in chemical graph theory, specifically the theory of topological indices. These include distance-based, degree-based, and counting-based indices. The book covers some of the most commonly used mathematical approaches in the subject. It is also written with the knowledge that chemical graph theory has many connections to different branches of graph theory (such as extremal graph theory, spectral graph theory). The authors wrote the book in an appealing way that attracts people to chemical graph theory. In doing so, the book is an excellent playground and general reference text on the subject, especially for young mathematicians with a special interest in graph theory. Key Features: A concise introduction to topological indices of graph theory Appealing to specialists and non-specialists alike Provides many techniques from current research About the Authors: Stephan Wagner grew up in Graz (Austria), where he also received his PhD from Graz University of Technology in 2006. Shortly afterwards, he moved to South Africa, where he started his career at Stellenbosch University as a lecturer in January 2007. His research interests lie mostly in combinatorics and related areas, including connections to other scientific fields such as physics, chemistry and computer science. Hua Wang received his PhD from University of South Carolina in 2005. He held a Visiting Research Assistant Professor position at University of Florida before joining Georgia Southern University in 2008. His research interests include combinatorics and graph theory, elementary number theory, and related problems

This book is a comprehensive summary of 50 years of research from theoretical predictions to experimental confirmation of the manifestation of spin exchange in EPR spectroscopy. The author unfolds the details of comprehensive state of the art of theoretical calculations, which have been proven to become the core of the paradigm shift in spin exchange and set the direction for the future of spin exchange research. The book refers to important experimental data that confirms the theory. It describes the modern protocol for determining the bi-molecular spin exchange rate from the EPR spectra, which will be especially interesting for experimentalists. Given its scope, the book will benefit all researchers engaged in theory and experiments in the area of spin exchange and its manifestations in EPR spectroscopy, where many remarkable applications of the spin probe have been developed.

Our understanding of the properties of materials, from drugs and proteins to catalysts and ceramics, is almost always based on structural information. This book describes the new developments in the realm of powder diffraction which make it possible for scientists to obtain such information even from polycrystalline materials. Written and edited by experts active in the field, and covering both the fundamental and applied aspects of structure solution from powder diffraction data, this book guides both novices and experienced practitioners alike through the maze of possibilities.

Any study on the historical evolution of nations and countries points out the decisive importance of productivity trends. We are all very familiar with the main evolution which started with a hunting society at the dawn of civilization, then moved to an agricultural society, and quickly to craftsmanship and com merce. The beginning of the industrial society dates back to the end of the eighteenth century in England, with the introduction of the assembly line in the textile and smelting industries. However, in the last few decades, we are becoming more and more acutely aware of the paramount importance of the production of "information". Indeed, according to a few economists today, we should be classified as living in an information society which has superseded the industrial society. At this point it simply becomes necessary to talk about the computer informa tion industry, which is more and more pervading our lives, from the personal computer, to the workstation, to information networks and electronic mail, to the blueprint executed by robots, to the supercomputer necessary in any major scientific and engineering task. The computer has already brought about a momentous change in the production line - less and less man-size, more and more robot-size. But this rush to tech nical innovation has not stopped at this point. Artificial intelligence and expert systems are becoming a more and more important factor for production by many enterprises and activities.

Support vector machines (SVMs) are used in a range of applications, including drug design, food quality control, metabolic fingerprint analysis, and microarray data-based cancer classification. While most mathematicians are well-versed in the distinctive features and empirical performance of SVMs, many chemists and biologists are not as familiar with what they are and how they work. Presenting a clear bridge between theory and application, Support Vector Machines and Their Application in Chemistry and Biotechnology provides a thorough description of the mechanism of SVMs from the point of view of chemists and biologists, enabling them to solve difficult problems with the help of these powerful tools. Topics discussed include: Background and key elements of support vector machines and applications in chemistry and biotechnology Elements and algorithms of support vector classification (SVC) and support vector regression (SVR) machines, along with discussion of simulated datasets The kernel function for solving nonlinear problems by using a simple linear transformation method Ensemble learning of support vector machines Applications of support vector machines to near-infrared data Support vector machines and quantitative structure-activity/property relationship (QSAR/QSPR) Quality control of traditional Chinese medicine by means of the chromatography fingerprint technique The use of support vector machines in exploring the biological data produced in OMICS study Beneficial for chemical data analysis and the modeling of complex physic-chemical and biological systems, support vector machines show promise in a myriad of areas. This book enables non-mathematicians to understand the potential of SVMs and utilize them in a host of applications.

Thermodynamics and information touch theory every facet of chemistry. However, the physical chemistry curriculum digested by students worldwide is still heavily skewed toward heat/work principles established more than a century ago. Rectifying this situation, Chemical Thermodynamics and Information Theory with Applications explores applications drawn from the intersection of thermodynamics and information theory-two mature and far-reaching fields. In an approach that intertwines information science and chemistry, this book covers: The informational aspects of thermodynamic state equations The algorithmic aspects of transformations-compression, expansion, cyclic, and more The principles of best-practice programming How molecules transmit and modify information via collisions and chemical reactions Using examples from physical and organic chemistry, this book demonstrates how the disciplines of thermodynamics and information theory are intertwined. Accessible to curiosity-driven chemists with knowledge of basic calculus, probability, and statistics, the book provides a fresh perspective on time-honored subjects such as state transformations, heat and work exchanges, and chemical reactions.

Molecular properties and reactions are controlled by electrons in the molecules. Electrons had been thought to be particles. Quantum mechanics showed that el- trons have properties not only as particles but also as waves. A chemical theory is required to think about the wave properties of electrons in molecules. These prop- ties are well represented by orbitals, which contain the amplitude and phase ch- acteristics of waves. This volume is a result of our attempt to establish a theory of chemistry in terms of orbitals - A Chemical Orbital Theory. The amplitude of orbitals represents a spatial extension of orbitals. An orbital strongly interacts with others at the position and in the direction of great extension. Orbital amplitude controls the reactivities and selectivities of chemical reactions. In the first paper on frontier orbital theory by Fukui the amplitude appeared in the form of its square, i.e., the density of frontier electrons in 1952 (Scheme 1). Orbital mixing rules were developed by Libit and Hoffmann and by Inagaki and Fukui in 1974 and Hirano and Imamura in 1975 to predict magnitudes of orbital amplitudes (Scheme 2) for understanding and designing stereoselective reactions.

This book provides the scientific community for the very first time, a comprehensive review on cucurbit[n]uril (CB[n], n = 510), a new family of molecular hosts, which has gained much attention in the new millennium for its exceptional molecular recognition ability. This pioneering publication starts with a brief overview on the history of CBs, followed by six chapters which cover the synthesis, structures, recognition properties of CBs; supramolecular assemblies built with CBs; applications of CBs; functionalization of CBs; applications of functionalized CBs; and CBs analogues and congeners. Full and up-to-date coverage of all the key issues in the area of CB chemistry are also provided, as are fresh perspectives.

Clean energy technologies are poised to play an important role in overcoming fossil fuel exhaustion and global pollution. Among these technologies, electrochemical energy storage and conversion are considered to be the most feasible, sustainable, and environmentally friendly. Proton exchange membrane (PEM) fuel cells are prime examples of electrochemical energy conversion technologies in action. Believed to be ideal sources of clean power, PEM fuel cells are replacing internal combustion and diesel engines in vehicles, as well as Pb-acid batteries and diesel generators in the emergency backup of telecommunications base stations and computer centers. Written by an industry-leading scientist, Proton Exchange Membrane Fuel Cells explains the theoretical foundations of PEM fuel cells in relation to practical design and operation to not only help beginners grasp the essentials, but also guide industry professionals in tackling technical challenges. Useful to scientists, researchers, students, academics, and practicing engineers, the book covers the fundamentals, materials, components, modules, system architecture, applications, and current developmental status; offers real-world examples; and provides insight into advancing this sustainable clean technology.

This book covers the broad subject of equilibrium statistical mechanics along with many advanced and modern topics such as nucleation, spinodal decomposition, inherent structures of liquids and liquid crystals. Unlike other books on the market, this comprehensive text not only deals with the primary fundamental ideas of statistical mechanics but also covers contemporary topics in this broad and rapidly developing area of chemistry and materials science.

The primary goal of the book is to promote research and developmental activities in energy, power technology and chemical technology. Besides, it aims to promote scientific information interchange between scholars from top universities, business associations, research centers and high-tech enterprises working all around the world. The conference conducted in-depth exchanges and discussions on relevant topics such as energy engineering and chemical engineering, aiming to provide an academic and technical communication platform for scholars and engineers engaged in scientific research and engineering practice in the field of energy materials, energy equipment and electrochemistry. By sharing the research status of scientific research achievements and cutting-edge technologies, it helps scholars and engineers all over the world comprehend the academic development trends and broaden research ideas. So as to strengthen international academic research, academic topics exchange and discussion, and promote the industrialization cooperation of academic achievements.

This book offers comprehensive coverage of carbon-based nanomaterials and electrochemical energy conversion and storage technologies such as batteries, fuel cells, supercapacitors, and hydrogen generation and storage, as well as the latest material and new technology development. It addresses a variety of topics such as electrochemical processes, materials, components, assembly and manufacturing, degradation mechanisms, challenges, and strategies. With in-depth discussions ranging from electrochemistry fundamentals to engineering components and applied devices, this all-inclusive reference offers a broad view of various carbon nanomaterials and technologies for electrochemical energy conversion and storage devices.

In this unique illustrated book, PhD students, postdoctoral researchers, senior visiting scholars, and staff describe their personal experiences in working with the late Prof. Ahmed H. Zewail at Caltech. Their reminiscences provide snapshots of their rich interactions, reflecting the great scientific achievements, as well as the human and humorous sides of Ahmed H. Zewail.The contributors tell us their stories covering a period of forty years, beginning from the time of Zewail's arrival at Caltech in 1976. Some of them cover the time when Zewail was starting his pioneering work on femtochemistry at the end of 80's, while others relate events long after he was awarded the Nobel Prize in Chemistry (1999) and had embarked on a new career in ultrafast electron imaging. The aims and scope of this book is to provide both scientists and non-scientists descriptions of the experiences of scientists in the early or mature stages of their careers when interacting with one of the greatest scientists of the 20th century, from developing the field of femtochemistry to pioneering ultrafast electron diffraction and imaging technology. The personal dimension of Zewail's leadership is reflected in all the contributions, and highlighted by special tributes from two of his children.The scientific and anecdotal stories recounted in the book give a rare view of experiences in shaping science. The reader will get firsthand accounts of how a Nobel Prize winner interacted daily with his co-workers to develop the laser-based science and technology for which he was internationally recognized. The recounted experiences may serve as a basis for scientists developing their own research, tutoring students, and supervising postdoctoral researchers.

In this unique illustrated book, PhD students, postdoctoral researchers, senior visiting scholars, and staff describe their personal experiences in working with the late Prof. Ahmed H. Zewail at Caltech. Their reminiscences provide snapshots of their rich interactions, reflecting the great scientific achievements, as well as the human and humorous sides of Ahmed H. Zewail.The contributors tell us their stories covering a period of forty years, beginning from the time of Zewail's arrival at Caltech in 1976. Some of them cover the time when Zewail was starting his pioneering work on femtochemistry at the end of 80's, while others relate events long after he was awarded the Nobel Prize in Chemistry (1999) and had embarked on a new career in ultrafast electron imaging. The aims and scope of this book is to provide both scientists and non-scientists descriptions of the experiences of scientists in the early or mature stages of their careers when interacting with one of the greatest scientists of the 20th century, from developing the field of femtochemistry to pioneering ultrafast electron diffraction and imaging technology. The personal dimension of Zewail's leadership is reflected in all the contributions, and highlighted by special tributes from two of his children.The scientific and anecdotal stories recounted in the book give a rare view of experiences in shaping science. The reader will get firsthand accounts of how a Nobel Prize winner interacted daily with his co-workers to develop the laser-based science and technology for which he was internationally recognized. The recounted experiences may serve as a basis for scientists developing their own research, tutoring students, and supervising postdoctoral researchers.

This book provides an analysis of contemporary problems in combustion science, namely flame propagation, detonation and heterophaseous combustion based on the works of the author. The current problems in the area of gas combustion, as well as the methods allowing to calculate and estimate limiting conditions of ignition, and flame propagation on the basis of experimental results are considered. The book focuses on the virtually inaccessible works of Russian authors and will be useful for experienced students and qualified scientists in the area of experimental studies of combustion processes.

This volume is a continuation of the five volumes of "The Chemistry of the Actinide and Transactinide Elements" (published 2006). It expounds on topics in actinide science that are undergoing rapid scientific developments and that are germane to the safe development of nuclear energy in the 21st century, from nuclear fuels to the environmental science and management of waste.

The scope of Volume 6 encompasses: actinides in the geosphere, subsurface interactions of actinides species with microorganisms, chemistry of nuclear fuels, actinide waste forms and radiation effects, analytical chemistry of plutonium, actinide chalcogenide compounds, molecular spectroscopy and reaction of the actinide ions in the gas phase and rare gas matrices, and hydrothermal synthesis of actinide compounds.

This volume is written by active practitioners and recognized experts in their specialty areas. Each of the topics represents the current state of knowledge in this fascinating area of science and technology.

The dissolution behaviour of metal oxides has applications in many scientific fields, each with its own jargon and methodological approach. Any scientist interested in this subject should understand the literature from these various areas. This book describe different specialized treatments to surface-controlled metal oxide dissolution reactions and translates them into a unified picture based on surface complexion

From the rise of chemical technology in antiquity to the present day, Igniting the Chemical Ring of Fire tracks the development of professional chemistry communities in the countries of the Pacific Rim. Critical in this process was the development of local education and training in chemistry. The doctorate in chemistry is generally regarded as coming into existence in early 19th century Germany, with the model spreading globally as time passed. In early years it was common for international chemistry scholars to train at the ranking German or English universities before returning to their home countries to seed a local version of the doctorate. However, little has been formally written about this process outside of Europe.Representing a first in the field for countries of the Pacific Rim, this book documents the detailed history of chemical communities in ten countries from a team of internationally renowned historians. Providing insights into how and when these countries initiated local chemistry PhD programs and became independent chemical entities, Igniting the Chemical Ring of Fire shows that there is no single path to development.

The primary goal of this text book is to ensure that any physical science student, even one who has never heard of the subject, should be able to learn what ultrafast spectroscopy is, why optics related to the subject requires special attention, how to use the basic ideas of the subject in laboratory-based ultrafast spectroscopy experiments, how to interpret the experimental observations and so on. This book gives a more than adequate introduction to mathematical representation of an ultrafast pulse, chirp, time-band width product, nonlinear optical effects, dispersion effects, construction of ultrafast laser, ultrafast measurement techniques and different ultrafast processes of chemical interest.