Download or read book 21st Century Challenges in Chemical Crystallography I written by D. Michael P. Mingos and published by Springer Nature. This book was released on 2021-01-20 with total page 285 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume summarises recent developments and possible future directions for small molecule X-ray crystallography. It reviews specific areas of crystallography which are rapidly developing and places them in a historical context. The interdisciplinary nature of the technique is emphasised throughout. It introduces and describes the chemical crystallographic and synchrotron facilities which have been at the cutting edge of the subject in recent decades. The introduction of new computer-based algorithms has proved to be very influential and stimulated and accelerated the growth of new areas of science. The challenges which will arise from the acquisition of ever larger databases are considered and the potential impact of artificial intelligence techniques stressed. Recent advances in the refinement and analysis of X-ray crystal structures are highlighted. In addition the recent developments in time resolved single crystal X-ray crystallography are discussed. Recent years have demonstrated how this technique has provided important mechanistic information on solid-state reactions and complements information from traditional spectroscopic measurements. The volume highlights how the prospect of being able to routinely “watch” chemical processes as they occur provides an exciting possibility for the future. Recent advances in X-ray sources and detectors that have also contributed to the possibility of dynamic single-crystal X-ray diffraction methods are presented. The coupling of crystallography and quantum chemical calculations provides detailed information about electron distributions in crystals and has resulted in a more detailed understanding of chemical bonding. The volume will be of interest to chemists and crystallographers with an interest in the synthesis, characterisation and physical and catalytic properties of solid-state materials. Postgraduate students entering the field will benefit from a historical introduction to the subject and a description of those techniques which are currently used. Since X-ray crystallography is used so widely in modern chemistry it will serve to alert senior chemists to those developments which will become routine in coming decades. It will also be of interest to the broad community of computational chemists who study chemical systems.
Download or read book High Pressure Molecular Science written by R. Winter and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 551 pages. Available in PDF, EPUB and Kindle. Book excerpt: For chemists, biochemists, physicists and materials scientists, pressure as an experimental variable represents a tool that provides unique information about the microscopic properties of the materials being studied. In addition to its use as a research tool for investigating the energetics, structure, dynamics and kinetics of molecular transformations of materials, pressure is also being used to modify the properties of materials to preserve or improve their properties. The contributions collected here cover the main areas of high pressure research, including applications in materials science, condensed matter physics, chemistry and biochemistry. In addition, some papers offer more specialised aspects of high pressure studies. The book makes clear the impressive range of fundamental and applied problems that can be studied by high pressure techniques and also points towards a major growth of high pressure science and technology in the near future.
Download or read book Materials Under Extreme Conditions Molecular Crystals At High Pressure written by Vincenzo Schettino and published by World Scientific. This book was released on 2013-11-20 with total page 373 pages. Available in PDF, EPUB and Kindle. Book excerpt: High-pressure materials research has been revolutionized in the past few years due to technological breakthroughs in the diamond anvil cell (DAC), shock wave compression and molecular dynamic simulation (MD) methods. The application of high pressure, especially together with high temperature, has revealed exciting modifications of physical and chemical properties even in the simplest molecular materials.Besides the fundamental importance of these studies to understand the composition and the dynamics of heart and planets' interior, new materials possessing peculiar characteristics of hardness and composition have been synthesized at very high pressure, while unexpected chemical reactions of simple molecules to polymers and amorphous compounds have been found at milder conditions.The variety of the phenomena observed in these extreme conditions and of the materials involved provides a common ground bridging scientific communities with different cultural and experimental backgrounds. This monograph will provide a timely opportunity to report on recent progress in the field.
Download or read book Science and Technology of High Pressure written by Murli H. Manghnani and published by Universities Press. This book was released on 2000 with total page 650 pages. Available in PDF, EPUB and Kindle. Book excerpt: These books presents a wide spectrum of research and development activities in the field of High Pressure Science and Technology. These book provide comprehensive and interdisciplinary descriptions of recent research accomplishments in the biological, chemical, Earth, materrals, physical, physiological and related sciences.
Download or read book Frontiers of High Pressure Research II written by Hans D. Hochheimer and published by Springer Science & Business Media. This book was released on 2001-12-31 with total page 584 pages. Available in PDF, EPUB and Kindle. Book excerpt: Proceedings of the NATO Advanced Research Workshop, Pingree Park, CO, USA, from 10-15 June 2001
Download or read book From Molecules to Molecular Systems written by Saburo Nagakura and published by Springer Science & Business Media. This book was released on 2013-03-14 with total page 340 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular systems are assemblies of molecules designed to possess special qualities and desired functionality. Such systems are important because they provide materials with novel properties, and they will be particularly useful for minimizing electronic devices. Molecular systems often form organized molecular crystals, polymers, or thin films that are significantly more complex than current materials. To provide a sound basis for understanding these levels of complexity, this book provides an analysis of the fundamentals of electronic structures, dynamic processes in condensed phases, and the unique properties of organic molecular solids and the environmental effects on these properties. Also covered are the latest methods in physical chemistry that are particularly useful for deriving and controlling the functionality of molecular systems. A second volume subtitled From Molecular Systems to Molecular Devices is also being published.
Download or read book The Equation of State in Astrophysics written by G. CHABRIER (Ed) and published by Cambridge University Press. This book was released on 1994-08-11 with total page 644 pages. Available in PDF, EPUB and Kindle. Book excerpt: A unique review of our understanding of dense ionised matter in astrophysical contexts - essential reading for graduate students and researchers.
Download or read book High pressure Flows for Propulsion Applications written by Josette Bellan and published by . This book was released on 2020 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Describes observations and modelling of high-pressure flows encountered in aeronautics and astronautics. They have been selected to present the current understanding of high-pressure flows. Experimental, theoretical and numerical studies are all represented. Fundamental investigations are presented first, followed by practical studies.
Download or read book High Temperature and High Pressure Crystal Chemistry written by Robert M. Hazen and published by Walter de Gruyter GmbH & Co KG. This book was released on 2018-12-17 with total page 604 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume 41 of Reviews in Mineralogy and Geochemistry introduces to the field of high-temperature and high-pressure crystal chemistry, both as a guide to the dramatically improved techniques and as a summary of the voluminous crystal chemical literature on minerals at high temperature and pressure. The three parts of the book introduces crystal chemical considerations of special relevance to non-ambient crystallographic studies, reviews the temperature- and pressure-variation of structures in major mineral groups and presents experimental techniques for high-temperature and high-pressure studies of single crystals and polycrystalline samples as well as special considerations relating to diffractometry on samples at non-ambient conditions.
Download or read book Recent Experimental and Computational Advances in Molecular Spectroscopy written by Rui Fausto and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 458 pages. Available in PDF, EPUB and Kindle. Book excerpt: Both molecular spectroscopy and computational chemistry have witnessed rapid significant progresses in recent years. On the one hand, it is nowadays possible to compute, to quite a reasonable degree of accuracy, almost all fundamental spectroscopic properties for small molecular systems. The theoretical approach is now properly considered to be of fundamental importance in attaining a high degree of understanding of spectroscopic information. Moreover, it may be also a great help in designing and planning experiments. On the other hand, new and very powerful experimental techniques have been developed. This book combines an advanced teaching standpoint with an emphasis on the interplay between theoretical and experimental molecular spectroscopy. It covers a wide range of topics (such as molecular dynamics and reactivity, conformational analysis, hydrogen bonding and solvent effects, spectroscopy of excited states, complex spectra interpretation and simulation, software development and biochemical applications of molecular spectroscopy) and considers a large variety of molecular spectroscopic techniques, either from an experimental or from a theoretical perspective. (short text) This book combines an advanced teaching standpoint with an emphasis on the interplay between theoretical and experimental molecular spectroscopy. It covers a wide range of topics (such as molecular dynamics and reactivity, conformational analysis, hydrogen bonding and solvent effects, spectroscopy of excited states, complex spectra interpretation and simulation, software development and biochemical applications of molecular spectroscopy) and considers a large variety of molecular spectroscopic techniques either from an experimental or from a theoretical perspective.
Download or read book Ultracondensed Matter by Dynamic Compression written by William J. Nellis and published by Cambridge University Press. This book was released on 2017-05-15 with total page 169 pages. Available in PDF, EPUB and Kindle. Book excerpt: Dynamic compression is an experimental technique with interdisciplinary uses, ranging from enabling the creation of ultracondensed matter under previously impossible conditions to understanding the likely cause of unusual planetary magnetic fields. Readers can now gain an intuitive understanding of dynamic compression; clear and authoritative chapters examine its history and experimental method, as well as key topics including dynamic compression of liquid hydrogen, rare gas fluids and shock-induced opacity. Through an up-to-date history of dynamic compression research, Nellis also clearly shows how dynamic compression addresses and will continue to address major unanswered questions across the scientific disciplines. The past and future role of dynamic compression in studying and making materials at extreme conditions of pressure, density and temperature is made clear, and the means of doing so are explained in practical language perfectly suited for researchers and graduate students alike.
Download or read book Molecular Simulation and Industrial Applications written by Keith E. Gubbins and published by Taylor & Francis. This book was released on 1996 with total page 568 pages. Available in PDF, EPUB and Kindle. Book excerpt: First published in 2004. Routledge is an imprint of Taylor & Francis, an informa company.
Download or read book Molecular Systems Engineering written by and published by John Wiley & Sons. This book was released on 2010-04-26 with total page 331 pages. Available in PDF, EPUB and Kindle. Book excerpt: Inspired by the leading authority in the field, the Centre for Process Systems Engineering at Imperial College London, this book includes theoretical developments, algorithms, methodologies and tools in process systems engineering and applications from the chemical, energy, molecular, biomedical and other areas. It spans a whole range of length scales seen in manufacturing industries, from molecular and nanoscale phenomena to enterprise-wide optimization and control. As such, this will appeal to a broad readership, since the topic applies not only to all technical processes but also due to the interdisciplinary expertise required to solve the challenge. The ultimate reference for years to come.
Download or read book Cryotechniques in Biological Electron Microscopy written by Rudolf A. Steinbrecht and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 308 pages. Available in PDF, EPUB and Kindle. Book excerpt: To preserve tissue by freezing is an ancient concept going back pre sumably to the practice of ice-age hunters. At first glance, it seems as simple as it is attractive: the dynamics of life are frozen in, nothing is added and nothing withdrawn except thermal energy. Thus, the result should be more life-like than after poisoning, tan ning and drying a living cell as we may rudely call the conventional preparation of specimens for electron microscopy. Countless mishaps, however, have taught electron microscopists that cryotechniques too are neither simple nor necessarily more life-like in their outcome. Not too long ago, experts in cryotechniques strictly denied that a cell could truly be vitrified, i.e. that all the solutes and macro molecules could be fixed within non-crystalline, glass-like solid water without the dramatic shifts and segregation effects caused by crystallization. We now know that vitrification is indeed pos sible. Growing insight into the fundamentals of the physics of water and ice, as well as increasing experience of how to cool cells rapidly enough have enlivened the interest in cryofixation and pro duced a wealth of successful applications.
Download or read book Quantum Dynamics of Complex Molecular Systems written by David A. Micha and published by Springer Science & Business Media. This book was released on 2006-11-22 with total page 424 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantum phenomena are ubiquitous in complex molecular systems - as revealed by many experimental observations based upon ultrafast spectroscopic techniques - and yet remain a challenge for theoretical analysis. The present volume, based on a May 2005 workshop, examines and reviews the state-of-the-art in the development of new theoretical and computational methods to interpret the observed phenomena. Emphasis is on complex molecular processes involving surfaces, clusters, solute-solvent systems, materials, and biological systems. The research summarized in this book shows that much can be done to explain phenomena in systems excited by light or through atomic interactions. It demonstrates how to tackle the multidimensional dynamics arising from the atomic structure of a complex system, and addresses phenomena in condensed phases as well as phenomena at surfaces. The chapters on new methodological developments cover both phenomena in isolated systems, and phenomena which involve the statistical effects of an environment, such as fluctuations and dissipation. The methodology part explores new rigorous ways to formulate mixed quantum-classical dynamics in many dimensions, along with new ways to solve a many-atom Schroedinger equation, or the Liouville-von Neumann equation for the density operator, using trajectories and ideas related to hydrodynamics. Part I treats applications to complex molecular systems, and Part II covers new theoretical and computational methods
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1992 with total page 656 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book High Pressure Crystallography written by Elena Boldyreva and published by Springer Science & Business Media. This book was released on 2010-08-20 with total page 603 pages. Available in PDF, EPUB and Kindle. Book excerpt: This unique book is devoted to the theme of crystallographic studies at high pressure. It places emphasis on the phenomena characteristic to the compressed state of matter, as well as experimental and theoretical techniques, used to study these phenomena.
