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.

The theoretical methods of quantum chemistry have matured to the point that accurate predictions can be made and experiments can be understood for a wide range of important gas-phase phenomena. A large part of this success can be attributed to the maturation of hierarchies of approximation, which allow one to approach very high accuracy, provided that sufficient computational resources are available. Until recently, these hierarchies have not been available in condensed-phase chemistry, but recent advances in the field have now led to a group of methods that are capable of reaching this goal. Accurate Condensed-Phase Quantum Chemistry addresses these new methods and the problems to which they can be applied. The book begins with an overview of periodic treatments of electron correlation, with an emphasis on the algorithmic features responsible for their computational efficiency. The first section of the book: Describes the Laplace-transform approach to periodic second-order perturbation theory (MP2) Examines local and density fitted schemes for MP2 in crystalline systems Presents test calculations for a variety of systems with small and medium-sized unit cells The next section focuses on methods based on treatment of the periodic solid in terms of fragments. This part of the book: Explores the incremental many-body scheme for electron correlation in solids, and describes progress towards metals and molecules on surfaces Describes the hierarchical method as an alternative fragment-based approach to electron correlation in crystalline solids, using conventional molecular electronic structure methods Examines electrostatically embedded many-body expansion for large systems, with an emphasis on molecular clusters and molecular liquids Explores delocalized and localized orbital approaches to the electronic structures of periodic and non-periodic solids Lastly, the book describes a practical method by which conventional molecular electronic structure theory can be applied to molecular liquids and solids. Along with the methodology, it presents results on small to medium water clusters as well as on liquid water.

Until the late 20th century, computational studies of biomolecules and nanomaterials had considered the two subjects separately. A thorough presentation of state-of-the-art simulations for studying the nanoscale behavior of materials, Simulations in Nanobiotechnology discusses computational simulations of biomolecules and nanomaterials together. The book gives readers insight into not only the fundamentals of simulation-based characterizations in nanobiotechnology, but also in how to approach new and interesting problems in nanobiotechnology using basic theoretical and computational frameworks. Presenting the simulation-based nanoscale characterizations in biological science, Part 1: Describes recent efforts in MD simulation-based characterization and CG modeling of DNA and protein transport dynamics in the nanopore and nanochannel Presents recent advances made in continuum mechanics-based modeling of membrane proteins Summarizes theoretical frameworks along with atomistic simulations in single-molecule mechanics Provides the computational simulation-based mechanical characterization of protein materials Discussing advances in modeling techniques and their applications, Part 2: Describes advances in nature-inspired material design; atomistic simulation-based characterization of nanoparticles' optical properties; and nanoparticle-based applications in therapeutics Overviews of the recent advances made in experiment and simulation-based characterizations of nanoscale adhesive properties Suggests theoretical frameworks with experimental efforts in the development of nanoresonators for future nanoscale device designs Delineates advances in theoretical and computational methods for understanding the mechanical behavior of a graphene monolayer The development of experimental apparatuses has paved the way to observing physics at the nanoscale and opened a new avenue in the fundamental understanding of the physics of various objects such as biological materials and nanomaterials. With expert contributors from around the world, this book addresses topics such as the molecular dynamics of protein translocation, coarse-grained modeling of CNT-DNA interactions, multi-scale modeling of nanowire resonator sensors, and the molecular dynamics simulation of protein mechanics. It demonstrates the broad application of models and simulations that require the use of principles from multiple academic disciplines.

Quantum Chemistry of Solids delivers a comprehensive account of the main features and possibilities of LCAO methods for the first principles calculations of electronic structure of periodic systems. The first part describes the basic theory underlying the LCAO methods applied to periodic systems and the use of Hartree-Fock(HF), Density Function theory(DFT) and hybrid Hamiltonians. The translation and site symmetry consideration is included to establish connection between k-space solid -state physics and real-space quantum chemistry. The inclusion of electron correlation effects for periodic systems is considered on the basis of localized crystalline orbitals. The possibilities of LCAO methods for chemical bonding analysis in periodic systems are discussed.
The second part deals with the applications of LCAO methods for calculations of bulk crystal properties, including magnetic ordering and crystal structure optimization. In the second edition two new chapters are added in the application part II of the book.
Chapter 12 deals with the recent LCAO calculations and illustrates the efficiency of the scalar-relativistic LCAO method for solids, containing heavy atoms. Chapter 13 deals with the symmetry properties and the recent applications of LCAO method to inorganic nanotubes.
New material is added to chapter 9 devoted to LCAO calculations of perfect-crystal properties. The possibilities of LCAO method for calculation of the high-frequency dielectric constants of crystals and the description of phase transitions in solids are discussed. The efficiency of LCAO method in the quantum-mechanics-molecular dynamics approach to the interpretation of x-ray absorption and EXAFS spectra is illustrated. A new section is devoted to recent LCAO calculations of electronic, vibrational and magnetic properties of tungstates MeWO4 (Me: Fe, Co, Ni, Cu, Zn, Cd)."

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.

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

This text presents an introduction to the field of statistical physics of macromolecules, from the basic concepts to modern achievements. Applications in various fields of polymer physical chemistry and molecular biophysics are also covered, as are: the fundamentals of statistical theory of polymer solutions and melts; classical, sealing and renormalization group approaches; the main ideas of statistical theories of polymer liquid crystals, polymer networks and polyelectrolytes; dynamic viscoelastic behavior of polymer systems; models of house, Zimm and reptation concepts; and specific features of main biopolymers - DNA and proteins. This English edition also includes sections describing the most important recent advances such as: statistical theory of DNA gel-electrophoresis, polymers at interfaces, and dynamics of concentrated solutions of rigid polymers.

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.

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

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.

This book characterizes the kinematic and chemical structures of disk-forming regions around low-mass protostellar sources and their interplay based on Atacama Large Millimeter/submillimeter Array (ALMA) observations. It describes the chemical evolution of molecules formed in an interstellar gas using the ALMA observations of 5 Sun-like protostars at a spatial resolution of a few tens au scale, which unveils the physical mechanism of star and planetary formation. The book reviews the author's successful works, focusing on two key findings: (i) A drastic change in the chemical composition of the gas around the centrifugal barrier of the infalling-rotating envelopes, and (ii) the chemical composition in the disk-forming regions, which varies from source to source depending on the chemical characteristics of the parent molecular cloud. These findings are based on the fine characterization of physical structures based on careful kinematic analyses. An additional attraction is the inclusion of the skillful reviews of ALMA observatory and its observation and physical models to describe the observed gas structure.

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.

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.

In the Crystallization of Polymers 2nd Edition, Leo Mandelkern provides a self-contained, comprehensive, and up-to-date treatment of polymer crystallization. Volume 2 of this new edition provides an authoritative account of the kinetics and mechanisms of polymer crystallization, building from the equilibrium concepts presented in volume 1. As crystalline polymers rarely, if ever, achieve their equilibrium state, this books serves as a bridge between equilibrium concepts and the state that is finally achieved. With a comprehensive treatment of the surrounding theories and experimental results from simple to complex polymer systems, this book will be an invaluable reference work for all chemists, physicists and materials scientists working in the area of polymer crystallization.

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.

This book is designed for a one-semester course, for undergraduates, not necessarily chemistry majors, who need to know something about physical chemistry. The emphasis is not on mathematical rigor, but subtleties and conceptual difficulties are not hidden. It covers the essential topics in physical chemistry, including the state of matter, thermodynamics, chemical kinetics, phase and chemical equilibria, introduction to quantum theory, and molecular spectroscopy. Supplementary materials are available upon request for all instructors who adopt this book as a course text. Please send your request to [email protected].

For more than three decades the Electroanalytical Chemistry Series has delivered the most in-depth and critical research related to issues in electrochemistry. Volume 24 continues this gold-standard with practical reviews of recent applications as well as innovative contributions from internationally respected specialists who highlight the emergence of new technologies and trends in the field.

This handbook describes methods of preparation, characterization, toxicity, and therapeutic indices of transition metal complexes of the naturally occurring heterocyclic nucleobases and their derivatives. Modes of coordination are listed together with the relevant spectral data and major methods of investigation. Where appropriate, the spectrum of the sample is included in the pertinent section on spectroscopy. Data on the uncomplexed bases, such as solubility, pK, accepted structure(s) in the solid state and solutions, and the natural occurrence of the base are also included. Volume II of this work provides the spectroscopic data to accompany Volume I. Volume II is divided into two sections: Section 1 summarizes the data and Section 2 is comprised of figures. In Section 1, the complexes are arranged according to the method of study. In Section 2, figures are listed by base type and follow the sequence of Volume I, mainly complexes of the pyrimidine bases, nucleosides and nucleotides, and then purine bases, nucleosides, and nucleotides.

A prominent aspect of quantum theory, tunneling arises in a variety of contexts across several fields of study, including nuclear, atomic, molecular, and optical physics and has led to technologically relevant applications in mesoscopic science. Exploring mechanisms and consequences, Dynamical Tunneling: Theory and Experiment presents the work of international experts who discuss the considerable progress that has been achieved in this arena in the past two decades. Highlights in this volume include: A historical introduction and overview of dynamical tunneling, with case histories ranging from simple and emblematic to complex and involving experimental counterparts An emphasis on the semiclassical theory of tunneling put forth by various research groups using different approaches Developments in tunneling with cold atoms and molecular manifestations Advances in our ability to perform delicate and precise experiments in atomic systems The visualization and control of photonic tunneling The role of dynamical tunneling on energy flow and localization in large molecules In the near future, complex tunneling processes occurring in few and many-body systems will be able to be predicted, understood, and controlled. Comprising all relevant topics and authors in the context of present-day research on dynamical tunneling, this self-contained volume provides readers with the basis for further discovery into the potential of this powerful phenomenon.

The original Handbook of Surface and Interface Analysis: Methods for Problem-Solving was based on the authors' firm belief that characterization and analysis of surfaces should be conducted in the context of problem solving and not be based on the capabilities of any individual technique. Now, a decade later, trends in science and technology appear to have validated their assertions. Major instrumental assets are generally funded and maintained as central facilities to help potential users make informed decisions about their appropriate use in solving analytical problem(s). Building on the popular first edition, this long-awaited second edition was motivated by the increasingly common industry view that it is more cost-effective to contract out analytical services than to maintain in-house facilities. Guided by that trend, this book focuses on developing strategic thinking for those who decide which facilities to access and where to subcontract analytical work. It covers most of the major tactical issues that are relevant at the location in which data are being produced. New Information in this Second Edition Includes: Electron-optical imaging techniques and associated analytical methods Techniques based on synchrotron sources Convenient and versatile scanning probe group methods Scanning tunneling microscopy, biocompatible materials, and nano-structured materials Assessing benefits and limitations of different methodologies, this volume provides the essential physical basis and common modes of operation for groups of techniques. Exploring methods for characterization and analysis of particular types of materials and/or their relevant applications-the text synergizes traditional and novel ideas to help readers develop a versatile and rational approach to surface and interface analysis.

The Beauty of Chemistry in the Words of Writers and in the Hands of Scientists, by Margherita Venturi, Enrico Marchi und Vincenzo Balzani Living in a Cage Is a Restricted Privilege, by Luigi Fabbrizzi Inner and Outer Beauty, by Kenneth N. Raymond und Casey J. Brown The Mechanical Bond: A Work of Art, by Carson J. Bruns und J. Fraser Stoddart The Beauty of Knots at the Molecular Level, by Jean-Pierre Sauvage und David B. Amabilino

This book presents a blueprint for researchers in the area of nanotechnology for chemical defense, especially with regard to future research on detection and protection. It addresses the synthesis of complex nanomaterials with potential applications in a broad range of sensing systems. Above all, it discusses novel experimental and theoretical tools for characterizing and modeling nanostructures and their integration in complex systems. The book also includes electronic structure calculations exploring the atomic and quantum mechanical mechanisms behind molecular binding and identification, so as to provide readers with an in-depth understanding of the capabilities and limitations of various nanomaterial approaches. Gathering contributions by scientists with diverse backgrounds, the book offers a wealth of insightful information for all scientists whose work involves material science and its applications in sensing.

Surface thermodynamics forms the foundation of any meaningful study of capillarity and wetting phenomena. The second edition of Applied Surface Thermodynamics offers a comprehensive state-of-the-art treatment of this critical topic. It provides students and researchers with fundamental knowledge and practical guidelines in solving real-world problems related to the measurement and interpretation of interfacial properties. Containing 40 percent new material and reorganized content, this second edition begins by presenting a generalized Gibbs theory of capillarity, including discussions of highly curved interfaces. Concentrating on drop-shape techniques, the book discusses liquid-fluid interfacial tension and its measurement. Next, the authors focus on contact angles with chapters on experimental procedures, thermodynamic models, and the interpretation of contact angles in terms of solid surface tension. The book discusses theoretical approaches to determining solid surface tension as well as interfacial tensions of particles and their manifestations. It concludes by discussing drop size dependence of contact angles and line tension. What's New in the Second Edition: Recent progress in Axisymmetric Drop Shape Analysis (ADSA) Image processing methods for drop shape analysis Advanced applications and generalizations of ADSA Recent studies of contact angle hysteresis Contact angles on inert fluoropolymers Update on line tension and the drop size dependence of contact angles Exploring a range of different aspects of surface science and its applications, the book logically progresses so that knowledge of previous chapters enhances the understanding of subsequent material, yet each chapter is freestanding so that experienced researchers can quickly refer to topics of particular interest.

Often considered the workhorse of the cellular machinery, proteins are responsible for functions ranging from molecular motors to signaling. The broad recognition of their involvement in all cellular processes has led to focused efforts to predict their functions from sequences, and if available, from their structures. An overview of current research directions, Computational Protein-Protein Interactions examines topics in the prediction of protein-protein interactions, including interference with protein-protein interactions and their design. Explores Computational Approaches to Understanding Protein-Protein Interactions Outlining fundamental and applied aspects of the usefulness of computations when approaching protein-protein interactions, this book incorporates different views of the same biochemical problem from sequence to structure to energetics. It covers protein-protein interaction prediction and dynamics, design, drug design for inhibition, and uses for the prediction of function. The text provides general chapters that overview the topic and also includes advanced material. The chapters detail the complexity of protein interaction studies and discuss potential caveats. Addresses the Next Big Problem in Molecular Biology While it is important to predict protein associations, this is a daunting task. Edited by two experts in the field and containing contributions from those at the forefront of research, the book provides a basic outline of major directions in computational protein-protein interactions research at the heart of functional genomics and crucial for drug discovery. It addresses the next big problem in molecular biology: how to create links between all the pieces of the cell jigsaw puzzle.