Useful for achieving a chemistry degree, this title aims to offer a judicious choice of topics and a careful exposition of maths

Already climbing the bestseller lists-and garnering rave reviews—this "little masterpiece" sheds brilliant light on the equation that changed the world. Bodanis begins by devoting chapters to each of the equation's letters and symbols, introducing the science and scientists forming the backdrop to Einstein's discovery—from Ole Roemer's revelation that the speed of light could be measured to Michael Faraday's pioneering work on energy fields. Having demystified the equation, Bodanis explains its science and brings it to life historically, making clear the astonishing array of discoveries and consequences it made possible. It would prove to be a beacon throughout the twentieth century, important to Ernest Rutherford, who discovered the structure of the atom, Enrico Fermi, who probed the nucleus, and Lise Meitner, who finally understood how atoms could be split wide open. And it has come to inform our daily lives, governing everything from the atomic bomb to a television's cathode-ray tube to the carbon dating of prehistoric paintings.

The study and application of electronic materials has created an increasing demand for sophisticated and reliable techniques for examining and characterizing these materials. This comprehensive book looks at the area of x-ray diffraction and the modern techniques available for deployment in research, development, and production. It provides the theoretical and practical background for applying these techniques in scientific and industrial materials characterization. The main aim of the book is to map the theoretical and practical background necessary to the study of single crystal materials by means of high-resolution x-ray diffraction and topography. It combines mathematical formalisms with graphical explanations and hands-on practical advice for interpreting data.

Quantum computers hold the promise of solving problems that would otherwise be intractable with conventional computers. Some prototypes of the simplest elements needed to build a quantum computer have already been implemented in the laboratory. The efforts now concentrate on combining these elements into scalable systems. In addition, alternative routes to creating large scale quantum computers are continuously being developed.

Quantum chemistry forms the basis of molecular modeling, a tool widely used to obtain important chemical information and visual images of molecular systems. Recent advances in computing have resulted in considerable developments in molecular modeling, and these developments have led to significant achievements in the design and synthesis of drugs and catalysts. This comprehensive text provides upper-level undergraduates and graduate students with an introduction to the implementation of quantum ideas in molecular modeling, exploring practical applications alongside theoretical explanations. Written in a straightforward and accessible manner, this Handbook of Computational Quantum Chemistry encompasses such topics as the Hartree-Fock method; matrix SCF equations; the implementation of the closed-shell case; and an introduction to molecular integrals that extends to their implementation. Other topics and subtopics include open shells; population analysis; molecular symmetry and symmetry orbital transformations; linear multi-determinant methods; core potentials; time-dependent perturbations; density functional theory; and implementation of the Kohn-Sham equations. The text concludes with helpful suggestions for additional reading.

Emphasizing the potential and impact of the burgeoning nanotechnology field, this six-volume encyclopedia set discusses the fundamental principles, theories, and methodologies that impact nanosystem design innovations in nanostructured materials, nanodevices, and system architectures. Unparalleled in scope and depth, it examines the properties, performance, and engineering of materials that have controllable features on the nanometer scale; new simulation tools and computational methods; and the construction, integration, and application of tools for the measurement and imaging of biological materials.

This book provides an introduction to the essentials of relativistic effects in quantum chemistry, and a reference work that collects all the major developments in this field. It is designed for the graduate student and the computational chemist with a good background in nonrelativistic theory. In addition to explaining the necessary theory in detail, at a level that the non-expert and the student should readily be able to follow, the book discusses the implementation of the theory and practicalities of its use in calculations. After a brief introduction to classical relativity and electromagnetism, the Dirac equation is presented, and its symmetry, atomic solutions, and interpretation are explored. Four-component molecular methods are then developed: self-consistent field theory and the use of basis sets, double-group and time-reversal symmetry, correlation methods, molecular properties, and an overview of relativistic density functional theory. The emphases in this section are on the basics of relativistic theory and how relativistic theory differs from nonrelativistic theory. Approximate methods are treated next, starting with spin separation in the Dirac equation, and proceeding to the Foldy-Wouthuysen, Douglas-Kroll, and related transformations, Breit-Pauli and direct perturbation theory, regular approximations, matrix approximations, and pseudopotential and model potential methods. For each of these approximations, one-electron operators and many-electron methods are developed, spin-free and spin-orbit operators are presented, and the calculation of electric and magnetic properties is discussed. The treatment of spin-orbit effects with correlation rounds off the presentationof approximate methods. The book concludes with a discussion of the qualitative changes in the picture of structure and bonding that arise from the inclusion of relativity.

Volume 1 : Number 1. - 2004. - 875 p.

Richard P. Feynman was one of this century’s most brilliant theoretical physicists and original thinkers. Born in Far Rockaway, New York, in 1918, he studied at the Massachusetts Institute of Technology, where he graduated with a BS in 1939. He went on to Princeton and received his Ph.D. in 1942. During the war years he worked at the Los Alamos Scientific Laboratory. He became Professor of Theoretical Physics at Cornell University, where he worked with Hans Bethe. He all but rebuilt the theory of quantum electrodynamics and it was for this work that he shared the Nobel Prize in 1965. His simplified rules of calculation became standard tools of theoretical analysis in both quantum electrodynamics and high-energy physics. Feynman was a visiting professor at the California Institute of Technology in 1950, where he later accepted a permanent faculty appointment, and became Richard Chace Tolman Professor of Theoretical Physics in 1959. He had an extraordinary ability to communicate his science to audiences at all levels, and was a well-known and popular lecturer. Richard Feynman died in 1988 after a long illness. Freeman Dyson, of the Institute for Advanced Study in Princeton, New Jersey, called him ‘the most original mind of his generation’, while in its obituary The New York Times described him as ‘arguably the most brilliant, iconoclastic and influential of the postwar generation of theoretical physicists’. A number of collections and adaptations of his lectures have been published, including The Feynman Lectures on Physics, QED (Penguin, 1990), The Character of Physical Law (Penguin, 1992), Six Easy Pieces (Penguin, 1998), The Meaning of It All (Penguin, 1999) and Six Not-So-Easy Pieces (Allen Lane, 1998; Penguin, 1999). The Feynman Lectures on Gravitation and The Feynman Lectures on Computation are both forthcoming in Penguin. His memoirs, Surely You’re Joking, Mr Feynman, were published in 1985.

Mirroring the growth and direction of science for nearly a century, the CRC Handbook of Chemistry and Physics, now in its 90th edition, adds several new tables that will be among the most accessed in the world. These include Structure and Functions of Common Drugs, Solubility Parameters of Polymers, Major World Earthquakes, and Equilibrium Constants of Selected Enzyme Reactions. It adds major updates to several more, including Threshold Limits for Airborne Contaminants, Mass Spectral Peaks of Common Organic Solvents, and Properties of the Solar System. It also adds a table of the Handbook’s greatest fans: Nobel Laureates in Chemistry and Physics.

Quantum Mechanics for Chemists is designed to provide chemistry undergraduates with a basic understanding of the principles of quantum mechanics. The text assumes some knowledge of chemical bonding and a familiarity with the qualitative aspects of molecular orbitals in molecules such as butadiene and benzene. Thus it is intended to follow a basic course in organic and/or inorganic chemistry. The approach is rather different from that adopted in most books on quantum chemistry in that the Schrodinger wave equation is introduced at a fairly late stage, after students have become familiar with the application of de Broglie-type wavefunctions to free particles and particles in a box. Likewise, the Hamiltonian operator and the concept of eigenfunctions and eigenvalues are not introduced until the last two chapters of the book, where approximate solutions to the wave equation for many-electron atoms and molecules are discussed. In this way, students receive a gradual introduction to the basic concepts of quantum mechanics. Ideal for the needs of undergraduate chemistry students, Tutorial Chemistry Texts is a major series consisting of short, single topic or modular texts concentrating on the fundamental areas of chemistry taught in undergraduate science courses. Each book provides a concise account of the basic principles underlying a given subject, embodying an independent-learning philosophy and including worked examples.

James House's revised Principles of Chemical Kinetics provides a clear and logical description of chemical kinetics in a manner unlike any other book of its kind. Clearly written with detailed derivations, the text allows students to move rapidly from theoretical concepts of rates of reaction to concrete applications. Unlike other texts, House presents a balanced treatment of kinetic reactions in gas, solution, and solid states. The entire text has been revised and includes many new sections and an additional chapter on applications of kinetics. The topics covered include quantitative relationships between molecular structure and chemical activity, organic/inorganic chemistry, biochemical kinetics, surface kinetics and reaction mechanisms. Chapters also include new problems, with answers to selected questions, to test the reader's understanding of each area. A solutions manual with answers to all questions is available for instructors. A useful text for both students and interested readers alike, Dr. House has once again written a comprehensive text simply explaining an otherwise complicated subject.

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This book gives a comprehensive overview of the basis and the current applications of LC-NMR and related techniques. It deals with the practical aspects of the hardware and software set-up for a successful performance of on-line coupling experiments. It covers the solution of real-word problems from the fields of biomedical, pharmaceutical and environmental studies as well as the analysis of natural products and polymeric compounds. Thus guidelines for an efficient application of the powerful hyphenated technique LC-NMR in combination with LC-MS are presented. Besides LC-NMR, important techniques such as the on-line coupling of gel permeation chromatography and supercritical fluid chromatography, together with 1H NMR spectroscopy, are described in detail. Fascinating further aspects, such as the application of capillary separation techniques either in the single or parallel detection mode, together with the possibilities of direct 13C monitoring of chromatographic events, are also discussed. Key features include: * Up-to-date information on the theoretical and experimental methodology * Coverage of applications in biomedical, pharmaceutical and natural product analysis, as well as environmental polymer and related hyphenated techniques * Information appropriate for researchers in organic, pharmaceutical and medical chemistry Overall, this book is a requirement for all researchers and staff members dealing with structure elucidation problems in separation science.