Molecular Dynamics And Structure Of Solids Classic Reprint
Molecular Dynamics And Structure Of Solids Classic Reprint Book in PDF, ePub and Kindle version is available to download in english. Read online anytime anywhere directly from your device. Click on the download button below to get a free pdf file of Molecular Dynamics And Structure Of Solids Classic Reprint book. This book definitely worth reading, it is an incredibly well-written.
Molecular Dynamics and Structure of Solids (Classic Reprint) by R. S. Carter Pdf
Excerpt from Molecular Dynamics and Structure of Solids The Structure of Several Uranyl Nitrate Compounds as Determined by Neutron Diffraction M. H. Mueller and N. Kent dalley. About the Publisher Forgotten Books publishes hundreds of thousands of rare and classic books. Find more at www.forgottenbooks.com This book is a reproduction of an important historical work. Forgotten Books uses state-of-the-art technology to digitally reconstruct the work, preserving the original format whilst repairing imperfections present in the aged copy. In rare cases, an imperfection in the original, such as a blemish or missing page, may be replicated in our edition. We do, however, repair the vast majority of imperfections successfully; any imperfections that remain are intentionally left to preserve the state of such historical works.
Ab Initio Molecular Dynamics by Dominik Marx,Jürg Hutter Pdf
Ab initio molecular dynamics revolutionized the field of realistic computer simulation of complex molecular systems and processes, including chemical reactions, by unifying molecular dynamics and electronic structure theory. This book provides the first coherent presentation of this rapidly growing field, covering a vast range of methods and their applications, from basic theory to advanced methods. This fascinating text for graduate students and researchers contains systematic derivations of various ab initio molecular dynamics techniques to enable readers to understand and assess the merits and drawbacks of commonly used methods. It also discusses the special features of the widely used Car–Parrinello approach, correcting various misconceptions currently found in research literature. The book contains pseudo-code and program layout for typical plane wave electronic structure codes, allowing newcomers to the field to understand commonly used program packages and enabling developers to improve and add new features in their code.
Robin K. Harris,Roderick E. Wasylishen,Melinda J. Duer
Author : Robin K. Harris,Roderick E. Wasylishen,Melinda J. Duer Publisher : John Wiley & Sons Page : 523 pages File Size : 47,5 Mb Release : 2012-12-19 Category : Science ISBN : 9781118587324
NMR Crystallography by Robin K. Harris,Roderick E. Wasylishen,Melinda J. Duer Pdf
The content of this volume has been added to eMagRes (formerly Encyclopedia of Magnetic Resonance) - the ultimate online resource for NMR and MRI. The term "NMR Crystallography" has only recently come into common usage, and even now causes raised eyebrows within some parts of the diffraction community. The power of solid-state NMR to give crystallographic information has considerably increased since the CPMAS suite of techniques was introduced in 1976. In the first years of the 21st century, the ability of NMR to provide information to support and facilitate the analysis of single-crystal and powder diffraction patterns has become widely accepted. Indeed, NMR can now be used to refine diffraction results and, in favorable cases, to solve crystal structures with minimal (or even no) diffraction data. The increasing ability to relate chemical shifts (including the tensor components) to the crystallographic location of relevant atoms in the unit cell via computational methods has added significantly to the practice of NMR crystallography. Diffraction experts will increasingly welcome NMR as an allied technique in their structural analyses. Indeed, it may be that in the future crystal structures will be determined by simultaneously fitting diffraction patterns and NMR spectra. This Handbook is organised into six sections. The first contains an overview and some articles on fundamental NMR topics, followed by a section concentrating on chemical shifts, and one on coupling interactions. The fourth section contains articles describing how NMR results relate to fundamental crystallography concepts and to diffraction methods. The fifth section concerns specific aspects of structure, such as hydrogen bonding. Finally, four articles in the sixth section give applications of NMR crystallography to structural biology, organic & pharmaceutical chemistry, inorganic & materials chemistry, and geochemistry. About EMR Handbooks / eMagRes Handbooks The Encyclopedia of Magnetic Resonance (up to 2012) and eMagRes (from 2013 onward) publish a wide range of online articles on all aspects of magnetic resonance in physics, chemistry, biology and medicine. The existence of this large number of articles, written by experts in various fields, is enabling the publication of a series of EMR Handbooks / eMagRes Handbooks on specific areas of NMR and MRI. The chapters of each of these handbooks will comprise a carefully chosen selection of articles from eMagRes. In consultation with the eMagRes Editorial Board, the EMR Handbooks / eMagRes Handbooks are coherently planned in advance by specially-selected Editors, and new articles are written (together with updates of some already existing articles) to give appropriate complete coverage. The handbooks are intended to be of value and interest to research students, postdoctoral fellows and other researchers learning about the scientific area in question and undertaking relevant experiments, whether in academia or industry. Have the content of this Handbook and the complete content of eMagRes at your fingertips! Visit: www.wileyonlinelibrary.com/ref/eMagRes View other eMagRes publications here
Handbook of Applied Solid State Spectroscopy by D.R. Vij Pdf
Solid-State spectroscopy is a burgeoning field with applications in many branches of science, including physics, chemistry, biosciences, surface science, and materials science. This handbook brings together in one volume information about various spectroscopic techniques that is currently scattered in the literature of these disciplines. This concise yet comprehensive volume covers theory and applications of a broad range of spectroscopies. It provides an overview of sixteen spectroscopic technique and self-contained chapters present up-to-date scientific and technical information and references with minimal overlap and redundancy.
Jonathan F. Stebbins,Paul F. McMillan,Donald B. Dingwell
Author : Jonathan F. Stebbins,Paul F. McMillan,Donald B. Dingwell Publisher : Walter de Gruyter GmbH & Co KG Page : 632 pages File Size : 46,7 Mb Release : 2018-12-17 Category : Science ISBN : 9781501509384
Structure, Dynamics, and Properties of Silicate Melts by Jonathan F. Stebbins,Paul F. McMillan,Donald B. Dingwell Pdf
Volume 32 of Reviews in Mineralogy introduces the basic concepts of melt physics and relaxation theory as applied to silicate melts, then to describe the current state of experimental and computer simulation techniques for exploring the detailed atomic structure and dynamic processes which occur at high temperature, and finally to consider the relationships between melt structure, thermodynamic properties and rheology within these liquids. These fundamental relations serve to bridge the extrapolation from often highly simplified melt compositions studied in the laboratory to the multicomponent systems found in nature. This volume focuses on the properties of simple model silicate systems, which are usually volatile-free. The behavior of natural magmas has been summarized in a previous Short Course volume (Nicholls and Russell, editors, 1990: Reviews in Mineralogy, Vol. 24), and the effect of volatiles on magmatic properties in yet another (Carroll and Holloway, editors, 1994: Vol. 30). The Mineralogical Society of America sponsored a short course for which this was the text at Stanford University December 9 and 10, 1995, preceding the Fall Meeting of the American Geophysical Union and MSA in San Fransisco, with about 100 professionals and graduate students in attendance.
Chemical Engineering by Tanase Gh. Dobre,José G. Sanchez Marcano Pdf
A description of the use of computer aided modeling and simulation in the development, integration and optimization of industrial processes. The two authors elucidate the entire procedure step-by-step, from basic mathematical modeling to result interpretation and full-scale process performance analysis. They further demonstrate similitude comparisons of experimental results from different systems as a tool for broadening the applicability of the calculation methods. Throughout, the book adopts a very practical approach, addressing actual problems and projects likely to be encountered by the reader, as well as fundamentals and solution strategies for complex problems. It is thus equally useful for student and professional engineers and chemists involved in industrial process and production plant design, construction or upgrading.
Angelo Gavezzotti,Professor of Physical Chemistry Fellow of the Royal Society of Chemistry Department of Structural Chemistry Angelo Gavezzotti
Author : Angelo Gavezzotti,Professor of Physical Chemistry Fellow of the Royal Society of Chemistry Department of Structural Chemistry Angelo Gavezzotti Publisher : OUP Oxford Page : 446 pages File Size : 42,8 Mb Release : 2007 Category : Business & Economics ISBN : 9780198570806
Molecular Aggregation by Angelo Gavezzotti,Professor of Physical Chemistry Fellow of the Royal Society of Chemistry Department of Structural Chemistry Angelo Gavezzotti Pdf
This title 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.
Carbon-based Solids and Materials by Pierre Delhaes Pdf
It is well known that solid carbons can be found in various guises with different forms of bulk phases (graphites, diamonds and carbynes) as well as more molecular forms (fullerenes,nanotubes and graphenes) resulting from recent discoveries. The cause of this rich polymorphism is analyzed in the first part of this book (chapters 1-5) with the propensity of carbon atoms for forming different types of homopolar chemical bonds associated with variable coordination numbers. Precursor organic molecules and parent compounds are also described to establish specific links with this rich polymorphism. Then in a second part (chapters 6-10) a comparative review of the main classes of bulk physical properties is presented. This approach emphasizes in particular the electronic behavior of (pi) polyaromatic systems organized in plane and curved atomic sheets. Finally in a third part (chapters 11-15) the surface and interface characteristics are introduced together with the texture and morphology of these multiscale carbon materials. An overview of the main field of applications is related showing the large use and interest for these solids.
Molecular Hydrodynamics by Jean Pierre Boon,Sidney Yip Pdf
A graduate level introduction to the theory and applications of time correlation functions and the molecular theory of fluid dynamics. "Quite well organized . . . the literature coverage is impressive." — Physics Today. 110 illustrations.
Annotations to Quantum Statistical Mechanics by In-Gee Kim Pdf
This book is a rewritten and annotated version of Leo P. Kadanoff and Gordon Baym’s lectures that were presented in the book Quantum Statistical Mechanics: Green’s Function Methods in Equilibrium and Nonequilibrium Problems. The lectures were devoted to a discussion on the use of thermodynamic Green’s functions in describing the properties of many-particle systems. The functions provided a method for discussing finite-temperature problems with no more conceptual difficulty than ground-state problems, and the method was equally applicable to boson and fermion systems and equilibrium and nonequilibrium problems. The lectures also explained nonequilibrium statistical physics in a systematic way and contained essential concepts on statistical physics in terms of Green’s functions with sufficient and rigorous details. In-Gee Kim thoroughly studied the lectures during one of his research projects but found that the unspecialized method used to present them in the form of a book reduced their readability. He started the tedious work of rewriting and annotating them to fully understand the formalism of nonequilibrium quantum statistical mechanics. While doing so, he realized they can be a useful resource for students of modern physics but will have to be upgraded to match pace with the evolved curricula. Being aware that besides completing the course work and passing the relevant examinations, it is necessary for graduate students of modern physics to make the knowledge of a topic concrete in their minds. This book is a systematically prepared summary of those lectures and will be extremely useful for graduate students as well as senior researchers to settle down the key knowledge of the subject.
Chemical sensors are integral to the automation of myriad industrial processes and everyday monitoring of such activities as public safety, engine performance, medical therapeutics, and many more. This 4 volume reference work covering simulation and modeling will serve as the perfect complement to Momentum Press's 6 volume reference works "Chemical Sensors: Fundamentals of Sensing Materials" and "Chemical Sensors: Comprehensive Sensor Technologies", which present detailed information related to materials, technologies, construction and application of various devices for chemical sensing. This 4 volume comprehensive reference work analyzes approaches used for computer simulation and modeling in various fields of chemical sensing and discusses various phenomena important for chemical sensing such as bulk and surface diffusion, adsorption, surface reactions, sintering, conductivity, mass transport, interphase interactions, etc. In this work it will be shown that theoretical modeling and simulation of the processes, being a basic for chemical sensors operation, could provide considerable progress in choosing both optimal materials and optimal configurations of sensing elements for using in chemical sensors. Each simulation and modeling volume in the present series reviews modeling principles and approaches peculiar to specific groups of materials and devices applied for chemical sensing. Volume 1: Microstructural Characterization and Modeling of Metal Oxides covers microstructural characterization of metal oxides using SEM, TEM, Raman spectroscopy and in-situ high temperature SEM, and multiscale atomistic simulation and modeling of metal oxides, including surface state, stability and metal oxide interactions with gas molecules, water and metals.
