Download or read book The DV X Molecular Orbital Calculation Method written by Tomohiko Ishii and published by . This book was released on 2014-11-30 with total page 372 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book The DV X Molecular Orbital Calculation Method written by Tomohiko Ishii and published by Springer. This book was released on 2014-11-06 with total page 361 pages. Available in PDF, EPUB and Kindle. Book excerpt: This multi-author contributed volume contains chapters featuring the development of the DV-Xα method and its application to a variety of problems in Materials Science and Spectroscopy written by leaders of the respective fields. The volume contains a Foreword written by the Chairs of Japanese and Korea DV-X alpha Societies. This book is aimed at individuals working in Quantum Chemistry.
Download or read book Hartree Fock Slater Method for Materials Science written by Hirohiko Adachi and published by Springer. This book was released on 2009-09-02 with total page 240 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular-orbital calculations for materials design such as alloys, ceramics, and coordination compounds are now possible for experimentalists. Molecuar-orbital calculations for the interpretation of chemical effect of spectra are also possible for experimentalists. The most suitable molecular-orbital calculation method for these purpose is the DV-Xa method, which is robust in such a way that the calculation converges to a result even if the structure of the molecule or solid is impossible in the pressure and temperature ranges on earth. This book specially addresses the methods to design novel materials and to predict the spectralline shape of unknown materials using the DV-Xa molecular-orbital method, but is also useful for those who want to calculate electronic structures of materials using any kind of method.
Download or read book Hartree Fock Slater Method for Materials Science written by Hirohiko Adachi and published by Springer Science & Business Media. This book was released on 2006-03-08 with total page 251 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular-orbital calculations for materials design such as alloys, ceramics, and coordination compounds are now possible for experimentalists. Molecuar-orbital calculations for the interpretation of chemical effect of spectra are also possible for experimentalists. The most suitable molecular-orbital calculation method for these purpose is the DV-Xa method, which is robust in such a way that the calculation converges to a result even if the structure of the molecule or solid is impossible in the pressure and temperature ranges on earth. This book specially addresses the methods to design novel materials and to predict the spectralline shape of unknown materials using the DV-Xa molecular-orbital method, but is also useful for those who want to calculate electronic structures of materials using any kind of method.
Download or read book X Ray Spectroscopy written by Shatendra K Sharma and published by BoD – Books on Demand. This book was released on 2012-02-01 with total page 294 pages. Available in PDF, EPUB and Kindle. Book excerpt: The x-ray is the only invention that became a regular diagnostic tool in hospitals within a week of its first observation by Roentgen in 1895. Even today, x-rays are a great characterization tool at the hands of scientists working in almost every field, such as medicine, physics, material science, space science, chemistry, archeology, and metallurgy. With vast existing applications of x-rays, it is even more surprising that every day people are finding new applications of x-rays or refining the existing techniques. This book consists of selected chapters on the recent applications of x-ray spectroscopy that are of great interest to the scientists and engineers working in the fields of material science, physics, chemistry, astrophysics, astrochemistry, instrumentation, and techniques of x-ray based characterization. The chapters have been grouped into two major sections based upon the techniques and applications. The book covers some basic principles of satellite x-rays as characterization tools for chemical properties and the physics of detectors and x-ray spectrometer. The techniques like EDXRF, WDXRF, EPMA, satellites, micro-beam analysis, particle induced XRF, and matrix effects are discussed. The characterization of thin films and ceramic materials using x-rays is also covered.
Download or read book Hartree Fock Slater Method for Materials Science written by Takeshi Mukoyama and published by Springer Science & Business Media. This book was released on 2006 with total page 264 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular-orbital calculations for materials design such as alloys, ceramics, and coordination compounds are now possible for experimentalists. Molecuar-orbital calculations for the interpretation of chemical effect of spectra are also possible for experimentalists. The most suitable molecular-orbital calculation method for these purpose is the DV-Xa method, which is robust in such a way that the calculation converges to a result even if the structure of the molecule or solid is impossible in the pressure and temperature ranges on earth. This book specially addresses the methods to design novel materials and to predict the spectrallline shape of unknown materials using the DV-Xa molecular-orbital method, but is also useful for those who want to calculate electronic structures of materials using any kind of method.
Download or read book Electronic Structure of Clusters written by and published by Academic Press. This book was released on 1998-04-10 with total page 501 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Quantum Chemistry publishes surveys of current developments in the rapidly developing field of quantum chemistry--a field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, this quality serial provides a single vehicle for following progress in this interdisciplinary area.
Download or read book Computer Aided Innovation of New Materials written by J. Kihara and published by Elsevier. This book was released on 2012-12-02 with total page 1009 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume brings together the experience of specialists in the entire field of applications of Materials Science. The volume contains 196 of the excellent papers presented at the conference. This multidisciplinary meeting was held to bring together workers in a wide range of materials science and engineering activities who employ common analytical and experimental methods in their day to day work. The results of the meeting are of worldwide interest, and will help to stimulate future research and analysis in this area.
Download or read book Advances in Quantum Chemistry written by John R. Sabin and published by Gulf Professional Publishing. This book was released on 2003-01-13 with total page 504 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area.
Download or read book Issues in Computation 2012 Edition written by and published by ScholarlyEditions. This book was released on 2013-01-10 with total page 278 pages. Available in PDF, EPUB and Kindle. Book excerpt: Issues in Computation / 2012 Edition is a ScholarlyEditions™ eBook that delivers timely, authoritative, and comprehensive information about Computational Chemistry. The editors have built Issues in Computation: 2012 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about Computational Chemistry in this eBook to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Issues in Computation: 2012 Edition has been produced by the world’s leading scientists, engineers, analysts, research institutions, and companies. All of the content is from peer-reviewed sources, and all of it is written, assembled, and edited by the editors at ScholarlyEditions™ and available exclusively from us. You now have a source you can cite with authority, confidence, and credibility. More information is available at http://www.ScholarlyEditions.com/.
Download or read book EMC 2008 written by Martina Luysberg and published by Springer Science & Business Media. This book was released on 2008-08-29 with total page 898 pages. Available in PDF, EPUB and Kindle. Book excerpt: Proceedings of the14th European Microscopy Congress, held in Aachen, Germany, 1-5 September 2008. Jointly organised by the European Microscopy Society (EMS), the German Society for Electron Microscopy (DGE) and the local microscopists from RWTH Aachen University and the Research Centre Jülich, the congress brings together scientists from Europe and from all over the world. The scientific programme covers all recent developments in the three major areas of instrumentation and methods, materials science and life science.
Download or read book X Ray Spectroscopy for Chemical State Analysis written by Jun Kawai and published by Springer Nature. This book was released on 2022-12-15 with total page 238 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book focuses on X-ray spectroscopy for chemical state analysis covering X-ray physics, spectroscopic characteristics used for functional and toxic materials, and the author's ideas related to X-ray experiments. This book also provides novel theoretical interpretations of X-ray spectra along with experimental techniques needed for both synchrotron radiation users and laboratory experimentalists. Presenting not only practical information, this book also covers basic knowledge of commercially available spectrometers and the basic physics of optics and electromagnetism related to X-rays. Furthermore, the author introduces the forgotten history of X-ray physics in the beginning of twentieth century. This book is of use for researchers studying catalysts, charge-transfer materials, surface characterization, and toxic trace elements via X-ray spectroscopy for chemical state analysis as well as quantitative analysis.
Download or read book Electric Charge Accumulation in Dielectrics Measurement and Analysis written by Tatsuo Takada and published by Springer Nature. This book was released on 2022-12-11 with total page 370 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book mainly introduces how to measure and analyze electric charge accumulation in Dielectrics. By using the PEA and Q(t) methods with the Quantum Chemical Calculation, the charge characteristics of solid dielectrics under different situations are analyzed, which are never discussed in detail by other books. The book contains a large number of experimental and simulation data as illustrations, and thus the reader can understand the theory in the book very easily. Meanwhile, the reader can learn how to use the two methods to measure charge behavior under different conditions and analyze the charge phenomena by Quantum Chemical Calculation.
Download or read book Titanium in Medical and Dental Applications written by Francis H Froes and published by Woodhead Publishing. This book was released on 2018-05-09 with total page 654 pages. Available in PDF, EPUB and Kindle. Book excerpt: Titanium in Medical and Dental Applications is an essential reference book for those involved in biomedical materials and advanced metals. Written by well-known experts in the field, it covers a broad array of titanium uses, including implants, instruments, devices, the manufacturing processes used to create them, their properties, corrosion resistance and various fabrication approaches. Biomedical titanium materials are a critically important part of biomaterials, especially in cases where non-metallic biomedical materials are not suited to applications, such as the case of load-bearing implants. The book also covers the use of titanium for implants in the medical and dental fields and reviews the use of titanium for medical instruments and devices. Provides an understanding of the essential and broad applications of Titanium in both the medical and dental industries Discusses the pathways to manufacturing titanium into critical biomedical and dental devices Includes insights into further applications within the industry
Download or read book International Conference on Thermoelectrics written by and published by . This book was released on 2001 with total page 574 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Nonlinear Optical Borate Crystals written by Chuangtian Chen and published by John Wiley & Sons. This book was released on 2012-05-29 with total page 407 pages. Available in PDF, EPUB and Kindle. Book excerpt: This clear and self-contained review of the last four decades of research highlights in the hot field of nonlinear optical (NLO) crystals, particularly of borate-based ultraviolet and deep-ultraviolet NLO crystals, covers three major subjects: the structure-property relationship in borate crystals, the structural and optical characteristics of various promising borate crystals, and their fruitful applications in a wide range of scientific and technological fields. Edited by the discoverers and users of these optical borate crystals, this is a readily accessible reading for semiconductor, applied and solid state physicists, materials scientists, solid state chemists, manufacturers of optoelectronic devices, and those working in the optical industry.
Download or read book Multiple Bonds between Metal Atoms written by F. Albert Cotton and published by Springer Science & Business Media. This book was released on 2006-07-31 with total page 840 pages. Available in PDF, EPUB and Kindle. Book excerpt: Provides historical perspective as well as current data Abundantly illustrated with figures redrawn from literature data Covers all pertinent theory and physical chemistry Catalytic and chemotherapeutic applications are included
