Modern Methods Of Crystal Structure Prediction
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Modern Methods Of Crystal Structure Prediction
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Author : Artem R. Oganov
language : en
Publisher: John Wiley & Sons
Release Date : 2011-08-04
Modern Methods Of Crystal Structure Prediction written by Artem R. Oganov and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-08-04 with Science categories.
Gathering leading specialists in the field of structure prediction, this book provides a unique view of this complex and rapidly developing field, reflecting the numerous viewpoints of the different authors. A summary of the major achievements over the last few years and of the challenges still remaining makes this monograph very timely.
Prediction And Calculation Of Crystal Structures
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Author : Sule Atahan-Evrenk
language : en
Publisher: Springer
Release Date : 2014-05-06
Prediction And Calculation Of Crystal Structures written by Sule Atahan-Evrenk and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-05-06 with Science categories.
The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field. Review articles for the individual volumes are invited by the volume editors. Readership: research chemists at universities or in industry, graduate students.
Methods And Applications Of Crystal Structure Prediction
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Author : Royal Society of Chemistry
language : en
Publisher: Faraday Discussions
Release Date : 2018
Methods And Applications Of Crystal Structure Prediction written by Royal Society of Chemistry and has been published by Faraday Discussions this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018 with Crystal growth categories.
This volume gathers key researchers representing the full scientific scope of the crystal structure prediction.
Soft Computing In Chemical And Physical Sciences
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Author : Kanchan Sarkar
language : en
Publisher: CRC Press
Release Date : 2017-11-06
Soft Computing In Chemical And Physical Sciences written by Kanchan Sarkar and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-11-06 with Mathematics categories.
This book can be regarded as 'Soft computing for physicists and chemists self-taught'. It prepares the readers with a solid background of soft computing and how to adapt soft computing techniques to problem solving in physical and chemical research. Soft computing methods have been little explored by researchers in physical and chemical sciences primarily because of the absence of books that bridge the gap between the traditional computing paradigm pursued by researchers in science and the new soft computing paradigm that has emerged in computer science. This book is the interface between these primary sources and researchers in physics and chemistry.
Structure Determination By X Ray Crystallography
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Author : Mark Ladd
language : en
Publisher: Springer Science & Business Media
Release Date : 2014-07-08
Structure Determination By X Ray Crystallography written by Mark Ladd and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-07-08 with Science categories.
The advances in and applications of x-ray and neutron crystallography form the essence of this new edition of this classic textbook, while maintaining the overall plan of the book that has been well received in the academic community since the first edition in 1977. X-ray crystallography is a universal tool for studying molecular structure, and the complementary nature of neutron diffraction crystallography permits the location of atomic species in crystals which are not easily revealed by X-ray techniques alone, such as hydrogen atoms or other light atoms in the presence of heavier atoms. Thus, a chapter discussing the practice of neutron diffraction techniques, with examples, broadens the scope of the text in a highly desirable way. As with previous editions, the book contains problems to illustrate the work of each chapter, and detailed solutions are provided. Mathematical procedures related to the material of the main body of the book are not discussed in detail, but are quoted where needed with references to standard mathematical texts. To address the computational aspect of crystallography, the suite of computer programs from the fourth edition has been revised and expanded. The programs enable the reader to participate fully in many of the aspects of x-ray crystallography discussed in the book. In particular, the program system XRAY* is interactive, and enables the reader to follow through, at the monitor screen, the computational techniques involved in single-crystal structure determination, albeit in two dimensions, with the data sets provided. Exercises for students can be found in the book, and solutions are available to instructors.
Implications Of Molecular And Materials Structure For New Technologies
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Author : Judith A. K. Howard
language : en
Publisher:
Release Date : 2014-01-15
Implications Of Molecular And Materials Structure For New Technologies written by Judith A. K. Howard and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-01-15 with categories.
Genes Advances In Research And Application 2013 Edition
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Author :
language : en
Publisher: ScholarlyEditions
Release Date : 2013-06-21
Genes Advances In Research And Application 2013 Edition written by and has been published by ScholarlyEditions this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-06-21 with Medical categories.
Genes—Advances in Research and Application / 2013 Edition is a ScholarlyBrief™ that delivers timely, authoritative, comprehensive, and specialized information about ZZZAdditional Research in a concise format. The editors have built Genes—Advances in Research and Application: 2013 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about ZZZAdditional Research in this book to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Genes—Advances in Research and Application / 2013 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/.
Molecular Aggregation
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Author : Angelo Gavezzotti
language : en
Publisher: OUP Oxford
Release Date : 2006-11-30
Molecular Aggregation written by Angelo Gavezzotti and has been published by OUP Oxford this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006-11-30 with Science categories.
This book is divided in two parts. Part I provides a brief but accurate summary of all the basic ideas, theories, methods, and conspicuous results of structure analysis and molecular modelling of the condensed phases of organic compounds: quantum chemistry, the intermolecular potential, force field and molecular dynamics methods, structural correlation, and thermodynamics. This Part is written in simple and intuitive form, so that the reader may easily find there the essential background for the discussions in the second part. Part II exposes the present status of studies in the analysis, categorization, prediction and control, at a molecular level, of intermolecular interactions in liquids, solutions, mesophases, and crystals. The main focus is here on the links between energies, structures, and chemical or physical properties.
Energy Landscapes Of Nanoscale Systems
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Author : David J. Wales
language : en
Publisher: Elsevier
Release Date : 2022-06-08
Energy Landscapes Of Nanoscale Systems written by David J. Wales and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-06-08 with Technology & Engineering categories.
Energy Landscapes of Nanoscale Systems provides a snapshot of the state-of-the-art in energy landscapes theory and applications. The book's chapters reflect diversity and knowledge transfer that is a key strength of the energy landscape approach. To reflect the breadth of this field, contributions include applications for clusters, biomolecules, crystal structure prediction and glassy materials. Chapters highlighting new methodologies, especially enhanced sampling techniques are included. In particular, the development and application of global optimization for structure prediction, methods for treating broken ergodicity on multifunnel landscapes, and treatment of rare event dynamics that reflect the state-of-the-art are featured. This book is an important reference source for materials scientists and energy engineers who want to understand more about how nanotechnology applies to the energy landscape approach. This volume is dedicated to Prof. Roy L. Johnston, who was formerly Co-Editor of the Frontiers of Nanoscience series, and who passed away in 2019. Outlines applications and advances in theory and simulation of energy systems at the nanoscale Explores how the energy landscapes approach is being applied to nanoscale materials Assesses major challenges in applying nanomaterials for energy applications on an industrial scale
Atomic Structure Prediction Of Nanostructures Clusters And Surfaces
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Author : Cristian V. Ciobanu
language : en
Publisher: John Wiley & Sons
Release Date : 2013-02-14
Atomic Structure Prediction Of Nanostructures Clusters And Surfaces written by Cristian V. Ciobanu and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-02-14 with Technology & Engineering categories.
This work fills the gap for a comprehensive reference conveying the developments in global optimization of atomic structures using genetic algorithms. Over the last few decades, such algorithms based on mimicking the processes of natural evolution have made their way from computer science disciplines to solid states physics and chemistry, where they have demonstrated their versatility and predictive power for many materials. Following an introduction and historical perspective, the text moves on to provide an in-depth description of the algorithm before describing its applications to crystal structure prediction, atomic clusters, surface and interface reconstructions, and quasi one-dimensional nanostructures. The final chapters provide a brief account of other methods for atomic structure optimization and perspectives on the future of the field.