Download or read book Density Functional Methods in Chemistry written by Jan K. Labanowski and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 444 pages. Available in PDF, EPUB and Kindle. Book excerpt: Predicting molecular structure and energy and explaining the nature of bonding are central goals in quantum chemistry. With this book, the editors assert that the density functional (DF) method satisfies these goals and has come into its own as an advanced method of computational chemistry. The wealth of applications presented in the book, ranging from solid state sys tems and polymers to organic and organo-metallic molecules, metallic clus ters, and biological complexes, prove that DF is becoming a widely used computational tool in chemistry. Progress in the methodology and its imple mentation documented by the contributions in this book demonstrate that DF calculations are both accurate and efficient. In fact, the results of DF calculations may pleasantly surprise many chem ists. Even the simplest approximation of DF, the local spin density method (LSD), yields molecular structures typical of ab initio correlated methods. The next level of theory, the nonlocal spin density method, predicts the energies of molecular processes within a few kcallmol or less. Like the Hartree-Fock (HF) and configuration interaction (CI) methods, the DF method is based only on fundamental physical constants. Therefore, it does not require semiempirical parameters and can be applied to any molecular system and to metallic phases. However, DF's greatest advantage is that it can be applied to much larger systems than those approachable by tradition al ab initio methods, especially when compared with correlated ab initio methods.
Download or read book Group Theory written by Mildred S. Dresselhaus and published by Springer Science & Business Media. This book was released on 2007-12-18 with total page 576 pages. Available in PDF, EPUB and Kindle. Book excerpt: This concise, class-tested book was refined over the authors’ 30 years as instructors at MIT and the University Federal of Minas Gerais (UFMG) in Brazil. The approach centers on the conviction that teaching group theory along with applications helps students to learn, understand and use it for their own needs. Thus, the theoretical background is confined to introductory chapters. Subsequent chapters develop new theory alongside applications so that students can retain new concepts, build on concepts already learned, and see interrelations between topics. Essential problem sets between chapters aid retention of new material and consolidate material learned in previous chapters.
Download or read book Catalysis written by James J Spivey and published by Royal Society of Chemistry. This book was released on 2007-10-31 with total page 337 pages. Available in PDF, EPUB and Kindle. Book excerpt: There is an increasing challenge for chemical industry and research institutions to find cost-efficient and environmentally sound methods of converting natural resources into fuels chemicals and energy. Catalysts are essential to these processes and the Catalysis Specialist Periodical Report series serves to highlight major developments in this area. This series provides systematic and detailed reviews of topics of interest to scientists and engineers in the catalysis field. The coverage includes all major areas of heterogeneous and homogeneous catalysis and also specific applications of catalysis such as NOx control kinetics and experimental techniques such as microcalorimetry. Each chapter is compiled by recognised experts within their specialist fields and provides a summary of the current literature. This series will be of interest to all those in academia and industry who need an up-to-date critical analysis and summary of catalysis research and applications. Catalysis will be of interest to anyone working in academia and industry that needs an up-to-date critical analysis and summary of catalysis research and applications. Specialist Periodical Reports provide systematic and detailed review coverage in major areas of chemical research. Compiled by teams of leading experts in their specialist fields, this series is designed to help the chemistry community keep current with the latest developments in their field. Each volume in the series is published either annually or biennially and is a superb reference point for researchers. www.rsc.org/spr
Download or read book The Aqueous Chemistry of Oxides written by Bruce C. Bunker and published by Oxford University Press. This book was released on 2016-02-02 with total page 645 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Aqueous Chemistry of Oxides is a single-volume text that encapsulates all of the critical issues associated with how oxide materials interact with aqueous solutions. It serves as a central reference for academics working with oxides in the contexts of geology, various types of inorganic chemistry, and materials science. The text also has utility for professionals working with industrial applications in which oxides are either prepared or must perform in aqueous environments. The volume is organized into five key sections. Part One features two introductory chapters, intended to introduce the mutual interests of engineers, chemists, geologists, and industrial scientists in the physical and chemical properties of oxide materials. Part Two provides the essential and fundamental principles that are critical to understanding most of the major reactions between water and oxides. Part Three deals with the synthesis of oxide materials in aqueous media. Part Four deals with oxide-water reactions and their environmental and technological impacts, and Part Five is devoted to other types of relevant reactions. The Aqueous Chemistry of Oxides is the first book that provides a comprehensive summary of all of the critical reactions between oxides and water in a single volume. As such, it ties together a wide range of existing books and literature into a central location that provides a key reference for understanding and accessing a broad range of more specialized topics. The book contain over 300 figures and tables.
Download or read book Electron Theory written by Vennie Edwards and published by Scientific e-Resources. This book was released on 2018-11-12 with total page 304 pages. Available in PDF, EPUB and Kindle. Book excerpt: Electrical phenomena have been studied since antiquity, though progress in theoretical understanding remained slow until the seventeenth and eighteenth centuries. Even then, practical applications for electricity were few, and it would not be until the late nineteenth century that electrical engineers were able to put it to industrial and residential use. The rapid expansion in electrical technology at this time transformed industry and society, becoming a driving force for the Second Industrial Revolution. Electricity's extraordinary versatility means it can be put to an almost limitless set of applications which include transport, heating, lighting, communications, and computation. Electrical power is now the backbone of modern industrial society. When you have completed this book, you should be able to describe the principles of electron flow, static electricity, conductors, and insulators and discuss basic electrical concepts and principles of magnetism.
Download or read book One Dimensional Nanostructures written by Zhiming M Wang and published by Springer Science & Business Media. This book was released on 2008-07-20 with total page 335 pages. Available in PDF, EPUB and Kindle. Book excerpt: One-dimensional (1D) nanostructures, including nanowires, nanotubes and quantum wires, have been regarded as the most promising building blocks for nanoscale electronic and optoelectronic devices. This book presents exciting, state-of-the-art developments in synthesis and properties of 1D nanostructures with many kinds of morphologies and compositions as well as their considerable impact on spintronics, information storage, and the design of field-effect transistors.
Download or read book Encyclopedia of Physical Organic Chemistry 6 Volume Set written by Zerong Wang and published by John Wiley & Sons. This book was released on 2017-04-17 with total page 4542 pages. Available in PDF, EPUB and Kindle. Book excerpt: Winner of 2018 PROSE Award for MULTIVOLUME REFERENCE/SCIENCE This encyclopedia offers a comprehensive and easy reference to physical organic chemistry (POC) methodology and techniques. It puts POC, a classical and fundamental discipline of chemistry, into the context of modern and dynamic fields like biochemical processes, materials science, and molecular electronics. Covers basic terms and theories into organic reactions and mechanisms, molecular designs and syntheses, tools and experimental techniques, and applications and future directions Includes coverage of green chemistry and polymerization reactions Reviews different strategies for molecular design and synthesis of functional molecules Discusses computational methods, software packages, and more than 34 kinds of spectroscopies and techniques for studying structures and mechanisms Explores applications in areas from biology to materials science The Encyclopedia of Physical Organic Chemistry has won the 2018 PROSE Award for MULTIVOLUME REFERENCE/SCIENCE. The PROSE Awards recognize the best books, journals and digital content produced by professional and scholarly publishers. Submissions are reviewed by a panel of 18 judges that includes editors, academics, publishers and research librarians who evaluate each work for its contribution to professional and scholarly publishing. You can find out more at: proseawards.com Also available as an online edition for your library, for more details visit Wiley Online Library
Download or read book Catalytic Technology for Selective Hydrogenation of Benzene to Cyclohexene written by Zhongyi Liu and published by Springer Nature. This book was released on 2020-09-10 with total page 355 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a comprehensive description of the catalytic technologies for selective hydrogenation of benzene to cyclohexene. Focusing on selective hydrogenation of benzene to prepare cyclohexene and its downstream products, such as cyclohexanone, bulk chemicals and high-value fine chemicals, it also discusses the objective laws, reaction mechanisms and scientific significance based on experimental data, analysis and characterization results. Given its scope, the book will appeal to a broad readership, particularly professionals at universities and scientific research institutes, senior undergraduates, master's and doctoral graduate students as well as practitioners in industry.
Download or read book Guidelines for Mastering the Properties of Molecular Sieves written by Denise Barthomeuf and published by Springer Science & Business Media. This book was released on 2013-03-08 with total page 424 pages. Available in PDF, EPUB and Kindle. Book excerpt: Low dimensionality is a multifarious concept which applies to very diversified materials. Thus, examples of low-dimensional systems are structures with one or several layers, single lines or patterns of lines, and small clusters isolated or dispersed in solid systems. Such low dimensional features can be produced in a wide variety of materials systems with a broad spectrum of scientific and practical interests. These features, in turn, induce specific properties and, particularly, specific transport properties. In the case of zeolites, low dimensionality appears in the network of small-diameter pores of molecular size, extending in one, two or three di mensions, that these solids exhibit as a characteristic feature and which explains the term of "molecular sieves" currently used to name these ma terials. Indeed, a large number of industrial processes for separation of gases and liquids, and for catalysis are based upon the use of this low dimensional feature in zeolites. For instance, zeolites constitute the first class of catalysts employed allover the world. Because of the peculiarity and flexibility of their structure (and composition), zeolites can be adapted to suit many specific and diversified applications. For this reason, zeolites are presently the object of a large and fast-growing interest among chemists and chemical engineers.
Download or read book Everything Has a Beginning Except the Beginning of Everything written by J. R. Gibbs (Jr) and published by Dorrance Publishing. This book was released on 2009-12 with total page 116 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Nuclear Science Abstracts written by and published by . This book was released on 1975 with total page 808 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1995 with total page 994 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book NanoCarbon 2011 written by César Avellaneda and published by Springer Science & Business Media. This book was released on 2012-10-02 with total page 144 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents highlighted results coming up from NanoCarbon2011, a Brazilian Carbon event. The topics cover the latest advances in Brazilian basic and applied research related to different carbon materials. The chapters address reviews on their fundamental and outstanding properties and describe various classes of new promising high-tech applications for carbon materials.
Download or read book The Authority of Material Vs the Spirit written by Douglas D Hunter and published by Trafford Publishing. This book was released on 2006-12-22 with total page 970 pages. Available in PDF, EPUB and Kindle. Book excerpt: A new mathematically-based structure for language allows for a new context with which one can make verifiable predictions about: material, life, mind, and the spiritual intent of (creative) existence.
Download or read book Light Source in High Voltage Photography written by Stanford University. Department of Materials Science and Engineering and published by . This book was released on 1973 with total page 182 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Spectral Photon Counting Computed Tomography written by Katsuyuki Taguchi and published by CRC Press. This book was released on 2020-07-14 with total page 446 pages. Available in PDF, EPUB and Kindle. Book excerpt: Spectral, Photon Counting Computed Tomography is a comprehensive cover of the latest developments in the most prevalent imaging modality (x-ray computed tomography (CT)) in its latest incarnation: Spectral, Dual-Energy, and Photon Counting CT. Disadvantages of the conventional single-energy technique used by CT technology are that different materials cannot be distinguished and that the noise is larger. To address these problems, a novel spectral CT concept has been proposed. Spectral Dual-Energy CT (DE-CT) acquires two sets of spectral data, and Spectral Photon Counting CT (PC-CT) detects energy of x-ray photons to reveal additional material information of objects by using novel energy-sensitive, photon-counting detectors. The K-edge imaging may be a gateway for functional or molecular CT. The book covers detectors and electronics, image reconstruction methods, image quality assessments, a simulation tool, nanoparticle contrast agents, and clinical applications for spectral CT.
Download or read book NASA Scientific and Technical Reports written by United States. National Aeronautics and Space Administration Scientific and Technical Information Division and published by . This book was released on 1968 with total page 448 pages. Available in PDF, EPUB and Kindle. Book excerpt:
