Download or read book Current Methods and Optimization Algorithms for the Refinement of X Ray Crystal Structures written by J. Uria and published by CRC Press. This book was released on 1999-08-19 with total page 78 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Crystal Structure Refinement written by Peter Muller and published by OUP Oxford. This book was released on 2006-07-13 with total page 232 pages. Available in PDF, EPUB and Kindle. Book excerpt: Crystal Structure Refinement is a mixture of textbook and tutorial. As A Crystallographers Guide to SHELXL it covers advanced aspects of practical crystal structure refinement, which have not been much addressed by textbooks so far. After an introduction to SHELXL in the first chapter, a brief survey of crystal structure refinement is provided. Chapters three and higher address the various aspects of structure refinement, from the treatment of hydrogen atoms to the assignment of atom types, to disorder, to non-crystallographic symmetry and twinning. One chapter is dedicated to the refinement of macromolecular structures and two short chapters deal with structure validation (one for small molecule structures and one for macromolecules). In each of the chapters the book gives refinement examples, based on the program SHELXL, describing every problem in detail. It comes with a CD-ROM with all files necessary to reproduce the refinements.
Download or read book Comprehensive Biophysics written by and published by Academic Press. This book was released on 2012-04-12 with total page 3533 pages. Available in PDF, EPUB and Kindle. Book excerpt: Biophysics is a rapidly-evolving interdisciplinary science that applies theories and methods of the physical sciences to questions of biology. Biophysics encompasses many disciplines, including physics, chemistry, mathematics, biology, biochemistry, medicine, pharmacology, physiology, and neuroscience, and it is essential that scientists working in these varied fields are able to understand each other's research. Comprehensive Biophysics, Nine Volume Set will help bridge that communication gap. Written by a team of researchers at the forefront of their respective fields, under the guidance of Chief Editor Edward Egelman, Comprehensive Biophysics, Nine Volume Set provides definitive introductions to a broad array of topics, uniting different areas of biophysics research - from the physical techniques for studying macromolecular structure to protein folding, muscle and molecular motors, cell biophysics, bioenergetics and more. The result is this comprehensive scientific resource - a valuable tool both for helping researchers come to grips quickly with material from related biophysics fields outside their areas of expertise, and for reinforcing their existing knowledge. Biophysical research today encompasses many areas of biology. These studies do not necessarily share a unique identifying factor. This work unites the different areas of research and allows users, regardless of their background, to navigate through the most essential concepts with ease, saving them time and vastly improving their understanding The field of biophysics counts several journals that are directly and indirectly concerned with the field. There is no reference work that encompasses the entire field and unites the different areas of research through deep foundational reviews. Comprehensive Biophysics fills this vacuum, being a definitive work on biophysics. It will help users apply context to the diverse journal literature offering, and aid them in identifying areas for further research Chief Editor Edward Egelman (E-I-C, Biophysical Journal) has assembled an impressive, world-class team of Volume Editors and Contributing Authors. Each chapter has been painstakingly reviewed and checked for consistent high quality. The result is an authoritative overview which ties the literature together and provides the user with a reliable background information and citation resource
Download or read book Powder Diffraction written by R E Dinnebier and published by Royal Society of Chemistry. This book was released on 2015-11-09 with total page 525 pages. Available in PDF, EPUB and Kindle. Book excerpt: Powder diffraction is a widely used scientific technique in the characterization of materials with broad application in materials science, chemistry, physics, geology, pharmacology and archaeology. Powder Diffraction: Theory and Practice provides an advanced introductory text about modern methods and applications of powder diffraction in research and industry. The authors begin with a brief overview of the basic theory of diffraction from crystals and powders. Data collection strategies are described including x-ray, neutron and electron diffraction setups using modern day apparatus including synchrotron sources. Data corrections, essential for quantitative analysis are covered before the authors conclude with a discussion of the analysis methods themselves. The information is presented in a way that facilitates understanding the information content of the data, as well as best practices for collecting and analyzing data for quantitative analysis. This long awaited book condenses the knowledge of renowned experts in the field into a single, authoritative, overview of the application of powder diffraction in modern materials research. The book contains essential theory and introductory material for students and researchers wishing to learn how to apply the frontier methods of powder diffraction
Download or read book The Corrective Nonlinear Simplex Search Algorithm and Its Application to the Refinement Problems of Crystal Structures written by Sukho Kang and published by . This book was released on 1976 with total page 162 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Crystal Structure Refinement written by Peter Muller and published by Oxford University Press, USA. This book was released on 2006-07-13 with total page 232 pages. Available in PDF, EPUB and Kindle. Book excerpt: Accompanying CD-ROM contains all the files necessary to reproduce the refinements covered in the text.
Download or read book Non Destructive Material Characterization Methods written by Akira Otsuki and published by Elsevier. This book was released on 2023-09-01 with total page 842 pages. Available in PDF, EPUB and Kindle. Book excerpt: Non-Destructive Material Characterization Methods provides readers with a trove of theoretical and practical insight into how to implement different non-destructive testing methods for effective material characterization. The book starts with an introduction to the field before moving right into a discussion of a wide range of techniques that can be immediately implemented. Various imaging and microscopy techniques are first covered, with step-by-step insights on characterization using a polarized microscope, an atomic force microscope, computed tomography, ultrasonography, magnetic resonance imaging, infrared tomography, and more. Each chapter includes case studies, applications, and recent developments. From there, elemental assay and mapping techniques are discussed, including Raman spectroscopy, UV spectroscopy, atomic absorption spectroscopy, neutron activation analysis, and various others. The book concludes with sections covering displacement measurement techniques, large-scale facility techniques, and methods involving multiscale analysis and advanced analysis. - Provides an overview of a wide-range of NDT material characterization methods, strengths and weaknesses of these methods, when to apply them, and more - Includes eddy current sensing and imaging, ultrasonic sensing and imaging, RF and THz imaging, internet and cloud-based methods, among many others - Presents case studies, applications and other insights on putting these methods into practice
Download or read book Reviews in Computational Chemistry Volume 12 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2009-09-22 with total page 434 pages. Available in PDF, EPUB and Kindle. Book excerpt: VOLUME 12 REVIEWS IN COMPUTATIONAL CHEMISTRY Kenny B. Lipkowitz and Donald B. Boyd HOW DOES ONE COMPUTE FREE ENERGY AND ENTROPY FROM MOLECULAR SIMULATIONS? WHAT HAPPENS WHEN SIMULATIONS ARE RUN WITH CONSTRAINTS? HOW SHOULD SIMULATIONS BE PERFORMED TO MODEL INTERFACIAL PHENOMENA? HOW IS DENSITY FUNCTIONAL THEORY USED TO SIMULATE MATERIALS? WHAT QUANTUM MECHANICAL METHODS SHOULD BE USED TO COMPUTE NONLINEAR OPTICAL PROPERTIES OF MATERIALS? WHICH PARAMETERS ARE MOST INFLUENTIAL IN A MOLECULAR SIMULATION? HOW CAN CRYSTAL STRUCTURES BE PREDICTED? TUTORIALS PROVIDING ANSWERS TO THESE QUESTIONS ARE THE FOCUS OF THIS BOOK. FROM REVIEWS OF THE SERIES "The series continues to be one of the most useful information sources." -JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Download or read book Cations in Inorganic Solids written by A. Vegas and published by CRC Press. This book was released on 2000-09-11 with total page 116 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Integration of structural biology data in lead drug discovery and optimization written by Marco Nardini and published by Frontiers Media SA. This book was released on 2023-03-03 with total page 159 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Computer Science Handbook written by Allen B. Tucker and published by CRC Press. This book was released on 2004-06-28 with total page 2742 pages. Available in PDF, EPUB and Kindle. Book excerpt: When you think about how far and fast computer science has progressed in recent years, it's not hard to conclude that a seven-year old handbook may fall a little short of the kind of reference today's computer scientists, software engineers, and IT professionals need. With a broadened scope, more emphasis on applied computing, and more than 70 chap
Download or read book Fundamental Principles of Molecular Modeling written by Anton Amann and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 247 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular similarity has always been an important conceptual tool of chemists, yet systematic approaches to molecular similarity problems have only recently been recognized as a major contributor to our understanding of molecular properties. Advanced approaches to molecular similarity analysis have their foundation in quantum similarity measures, and are important direct or indirect contributors to some of the predictive theoretical, computational, and also experimental methods of modern chemistry. This volume provides a survey of the foundations and the contemporary mathematical and computational methodologies of molecular similarity approaches, where special emphasis is given to applications of similarity studies to a range of practical and industrially significant fields, such as pharmaceutical drug design. The authors of individual chapters are leading experts in various sub-fields of molecular similarity analysis and the related fundamental theoretical chemistry topics, as well as the relevant computational and experimental methodologies. Whereas in each chapter the emphasis is placed on a different area, nevertheless, the overall coverage and the wide scope of the book provides the reader with a general yet sufficiently detailed description that may serve as a good starting point for new studies and applications of molecular similarity approaches. The editors of this volume are grateful to the authors for their contributions, and hope that the readers will find this book a useful and motivating source of information in the rapidly growing field of molecular similarity analysis.
Download or read book Encyclopedia of Supramolecular Chemistry Two Volume Set Print written by Jerry L. Atwood and published by CRC Press. This book was released on 2013-10-09 with total page 1745 pages. Available in PDF, EPUB and Kindle. Book excerpt: The two-volume Encyclopedia of Supramolecular Chemistry offers authoritative, centralized information on a rapidly expanding interdisciplinary field. User-friendly and high-quality articles parse the latest supramolecular advancements and methods in the areas of chemistry, biochemistry, biology, environmental and materials science and engineering, physics, computer science, and applied mathematics. Designed for specialists and students alike, the set covers the fundamentals of supramolecular chemistry and sets the standard for relevant future research.
Download or read book Macromolecular Crystallography written by Mark R. Sanderson and published by Oxford University Press. This book was released on 2007-08-23 with total page 293 pages. Available in PDF, EPUB and Kindle. Book excerpt: Macromolecular crystallography is the study of macromolecules using X-ray crystallographic techniques to determine their molecular structure. This title synthesises contributions from a team of internationally recognized leaders, offering chapters on conventional and high-throughput methods.
Download or read book Advanced X ray Crystallography written by Kari Rissanen and published by Springer Science & Business Media. This book was released on 2012-01-10 with total page 190 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Studies of Crystal Structure and Bonding, by Angelo Gavezzotti Cryo-Crystallography: Diffraction at Low Temperature and More, by Piero Macchi High-Pressure Crystallography, by Malcolm I. McMahon Chemical X-Ray Photodiffraction: Principles, Examples, and Perspectives, by Panče Naumov Powder Diffraction Crystallography of Molecular Solids, by Kenneth D. M. Harris
Download or read book Ninth European Powder Diffraction Conference written by and published by Walter de Gruyter GmbH & Co KG. This book was released on 2015-10-29 with total page 688 pages. Available in PDF, EPUB and Kindle. Book excerpt: Zeitschrift für Kristallographie. Supplement Volume 23 presents the complete Proceedings of all contributions to the IX European Powder Diffraction Conference in Prague 2004: Method Development and Application Instrumental Software Development Materials Supplement Series of Zeitschrift für Kristallographie publishes Proceedings and Abstracts of international conferences on the interdisciplinary field of crystallography.
Download or read book 21 Jahrestagung der Deutschen Gesellschaft f r Kristallographie March 2013 Freiberg Germany written by and published by Walter de Gruyter. This book was released on 2013-10-18 with total page 148 pages. Available in PDF, EPUB and Kindle. Book excerpt: Zeitschrift für Kristallographie. Supplement Volume 33 presents the complete Abstracts of all contributions to the 21rst Annual Conference of the German Crystallographic Society in Freiberg 2013: - Plenary Talks - Microsymposia - Poster Session Supplement Series of Zeitschrift für Kristallographie publishes Proceedings and Abstracts of international conferences on the interdisciplinary field of crystallography.
