Download or read book Index to Theses with Abstracts Accepted for Higher Degrees by the Universities of Great Britain and Ireland and the Council for National Academic Awards written by and published by . This book was released on 2008 with total page 716 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Density Functional Theory written by David S. Sholl and published by John Wiley & Sons. This book was released on 2011-09-20 with total page 252 pages. Available in PDF, EPUB and Kindle. Book excerpt: Demonstrates how anyone in math, science, and engineering can master DFT calculations Density functional theory (DFT) is one of the most frequently used computational tools for studying and predicting the properties of isolated molecules, bulk solids, and material interfaces, including surfaces. Although the theoretical underpinnings of DFT are quite complicated, this book demonstrates that the basic concepts underlying the calculations are simple enough to be understood by anyone with a background in chemistry, physics, engineering, or mathematics. The authors show how the widespread availability of powerful DFT codes makes it possible for students and researchers to apply this important computational technique to a broad range of fundamental and applied problems. Density Functional Theory: A Practical Introduction offers a concise, easy-to-follow introduction to the key concepts and practical applications of DFT, focusing on plane-wave DFT. The authors have many years of experience introducing DFT to students from a variety of backgrounds. The book therefore offers several features that have proven to be helpful in enabling students to master the subject, including: Problem sets in each chapter that give readers the opportunity to test their knowledge by performing their own calculations Worked examples that demonstrate how DFT calculations are used to solve real-world problems Further readings listed in each chapter enabling readers to investigate specific topics in greater depth This text is written at a level suitable for individuals from a variety of scientific, mathematical, and engineering backgrounds. No previous experience working with DFT calculations is needed.

Download or read book Physics Briefs written by and published by . This book was released on 1988 with total page 1008 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book WRC Information written by Water Research Centre (Great Britain) and published by . This book was released on 1984 with total page 624 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Issue Paper on the Environmental Chemistry of Metals written by and published by . This book was released on 2004 with total page 118 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 702 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book NBS Special Publication written by and published by . This book was released on 1968 with total page 416 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Computational Materials Chemistry written by L.A. Curtiss and published by Springer Science & Business Media. This book was released on 2004-05-26 with total page 392 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume illustrates the contributions that modern techniques in simulation and modeling can make to materials chemistry research and the level of accuracy achievable. While new developments in simulation and modeling are discussed to some extent, the major emphasis is on applications to materials chemistry including in areas of surface chemistry, solid state chemistry, polymer chemistry and nanoscience. The phenomenal improvement in both theoretical methods and computer technology have made it possible for computational chemistry to achieve a new level of chemical accuracy that is providing significant insight into the effect of chemical reactivity on the behavior of materials and helping to design new materials. Audience: Researchers, teachers, and students in chemistry and physics.

Download or read book Inorganic Species in Water written by Thomas B. Hoover and published by . This book was released on 1978 with total page 112 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 1968 with total page 1192 pages. Available in PDF, EPUB and Kindle. Book excerpt: NSA is a comprehensive collection of international nuclear science and technology literature for the period 1948 through 1976, pre-dating the prestigious INIS database, which began in 1970. NSA existed as a printed product (Volumes 1-33) initially, created by DOE's predecessor, the U.S. Atomic Energy Commission (AEC). NSA includes citations to scientific and technical reports from the AEC, the U.S. Energy Research and Development Administration and its contractors, plus other agencies and international organizations, universities, and industrial and research organizations. References to books, conference proceedings, papers, patents, dissertations, engineering drawings, and journal articles from worldwide sources are also included. Abstracts and full text are provided if available.

Download or read book Publications of the National Institute of Standards and Technology Catalog written by National Institute of Standards and Technology (U.S.) and published by . This book was released on 1986 with total page 410 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Dissertation Abstracts International written by and published by . This book was released on 1986 with total page 726 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book U S Government Research Development Reports written by and published by . This book was released on 1970 with total page 1342 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Technical Background Report for the Global Mercury Assessment 2013 written by United Nations Publications and published by UN. This book was released on 2013 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This report details the technical background to the Global Mercury Assessment 2013 - Sources, Emissions, Releases and Environmental Transport (summary for policy-makers) that has been developed in response to Decision 25/5 III, paragraph 36 of the Governing Council of the United Nations Environment Programme (UNEP), that: 'Request the Executive Director, in consultation with Governments, to update the 2008 report entitled Global Atmospheric Mercury Assessment: Sources, Emissions and Transport for consideration by the Governing Council / Global Ministerial Environment Forum at its twenty-seventh session.' This technical background report has been developed in collaboration with the Arctic Monitoring and Assessment Programme (AMAP). As such, this report also constitutes a contribution to the work of AMAP and the Arctic Council

Download or read book Guide to Best Practices for Ocean Acidification Research and Data Reporting written by and published by . This book was released on 2011 with total page 264 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Publications written by United States. National Bureau of Standards and published by . This book was released on 1986 with total page 408 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Recent Advances in Adsorption Processes for Environmental Protection and Security written by José Paulo Mota and published by Springer Science & Business Media. This book was released on 2007-10-30 with total page 201 pages. Available in PDF, EPUB and Kindle. Book excerpt: The purpose of the Workshop was to share knowledge on the latest advances on adsorption processes for environmental security and protection, as well as to disseminate the main results and achievements of recent NATO Science-for-Peace projects on environmental security and protection. This volume provides a comprehensive report on adsorption and colloids phenomena, carbon materials and adsorbents for various industrial applications, ecological safety and antiterrorism.