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Author : Robert Sague Carter,John Joseph Rush
Publisher : Unknown
Page : 594 pages
File Size : 48,6 Mb
Release : 1969
Category : Molecular dynamics
ISBN : UOM:39015012315894
Author : Anonim
Publisher : Unknown
Page : 128 pages
File Size : 44,9 Mb
Release : 1969
Category : Electronic
ISBN : OCLC:602430390
Author : R. S. Carter
Publisher : Forgotten Books
Page : 586 pages
File Size : 52,5 Mb
Release : 2017-10-27
Category : Science
ISBN : 0266818242
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.
Author : Robert Sague Carter,John Joseph Rush
Publisher : Unknown
Page : 571 pages
File Size : 44,5 Mb
Release : 1967
Category : Molecular dynamics
ISBN : OCLC:396856883
Author : Robert Sague Carter,John Joseph Rush
Publisher : Unknown
Page : 584 pages
File Size : 43,7 Mb
Release : 1969
Category : Molecular dynamics
ISBN : UOM:39015095088046
Author : Anonim
Publisher : Unknown
Page : 571 pages
File Size : 53,6 Mb
Release : 1969
Category : Molecular dynamics
ISBN : OCLC:396856883
Author : Lichang Wang
Publisher : BoD – Books on Demand
Page : 440 pages
File Size : 51,6 Mb
Release : 2012-04-05
Category : Mathematics
ISBN : 9789535104438
Molecular Dynamics is a two-volume compendium of the ever-growing applications of molecular dynamics simulations to solve a wider range of scientific and engineering challenges. The contents illustrate the rapid progress on molecular dynamics simulations in many fields of science and technology, such as nanotechnology, energy research, and biology, due to the advances of new dynamics theories and the extraordinary power of today's computers. This first book begins with a general description of underlying theories of molecular dynamics simulations and provides extensive coverage of molecular dynamics simulations in nanotechnology and energy. Coverage of this book includes: Recent advances of molecular dynamics theory Formation and evolution of nanoparticles of up to 106 atoms Diffusion and dissociation of gas and liquid molecules on silicon, metal, or metal organic frameworks Conductivity of ionic species in solid oxides Ion solvation in liquid mixtures Nuclear structures
Author : Giovanni Ciccotti,Daan Frenkel,Ian Ranald McDonald
Publisher : North Holland
Page : 504 pages
File Size : 54,7 Mb
Release : 1987
Category : Mathematics
ISBN : UOM:39015016072129
Author : Carlo Massobrio,Jincheng Du,Marco Bernasconi,Philip S. Salmon
Publisher : Springer
Page : 529 pages
File Size : 40,9 Mb
Release : 2015-04-22
Category : Technology & Engineering
ISBN : 9783319156750
This book is a unique reference work in the area of atomic-scale simulation of glasses. For the first time, a highly selected panel of about 20 researchers provides, in a single book, their views, methodologies and applications on the use of molecular dynamics as a tool to describe glassy materials. The book covers a wide range of systems covering "traditional" network glasses, such as chalcogenides and oxides, as well as glasses for applications in the area of phase change materials. The novelty of this work is the interplay between molecular dynamics methods (both at the classical and first-principles level) and the structure of materials for which, quite often, direct experimental structural information is rather scarce or absent. The book features specific examples of how quite subtle features of the structure of glasses can be unraveled by relying on the predictive power of molecular dynamics, used in connection with a realistic description of forces.
Author : Angelo Gavezzotti
Publisher : John Wiley & Sons
Page : 256 pages
File Size : 48,8 Mb
Release : 1997-03-06
Category : Computers
ISBN : UOM:39015041013817
The theoretical aspects of crystal packing, the study of the nature and magnitude of the forces that hold molecules together in organic crystals, and of the most favourable arrangements of molecules in crystals are dealt with in this book. After an introductory chapter on the definition and relevance of symmetry in crystal packing, a chapter deals with the physical foundations of weak intermolecular forces and with their simulation by quantum chemical methods. Subsequently, the relationships between crystal structure and crystal thermodynamics are described using empirical intermolecular potentials to bridge the gap by computer modelling.
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 : 47,8 Mb
Release : 2007
Category : Business & Economics
ISBN : 9780198570806
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.
Author : Jorge Kohanoff
Publisher : Cambridge University Press
Page : 339 pages
File Size : 51,5 Mb
Release : 2006-06-29
Category : Science
ISBN : 9781139453486
Electronic structure problems are studied in condensed matter physics and theoretical chemistry to provide important insights into the properties of matter. This 2006 graduate textbook describes the main theoretical approaches and computational techniques, from the simplest approximations to the most sophisticated methods. It starts with a detailed description of the various theoretical approaches to calculating the electronic structure of solids and molecules, including density-functional theory and chemical methods based on Hartree-Fock theory. The basic approximations are thoroughly discussed, and an in-depth overview of recent advances and alternative approaches in DFT is given. The second part discusses the different practical methods used to solve the electronic structure problem computationally, for both DFT and Hartree-Fock approaches. Adopting a unique and open approach, this textbook is aimed at graduate students in physics and chemistry, and is intended to improve communication between these communities. It also serves as a reference for researchers entering the field.
Author : Anonim
Publisher : Unknown
Page : 1390 pages
File Size : 47,5 Mb
Release : 1987
Category : Aeronautics
ISBN : UOM:39015034725146
Lists citations with abstracts for aerospace related reports obtained from world wide sources and announces documents that have recently been entered into the NASA Scientific and Technical Information Database.
Author : George Floudas,Marian Paluch,Andrzej Grzybowski,Kai Ngai
Publisher : Springer Science & Business Media
Page : 183 pages
File Size : 44,5 Mb
Release : 2010-11-25
Category : Technology & Engineering
ISBN : 9783642049026
Pressure is one of the essential thermodynamic variables that, due to some former experimental difficulties, was long known as the “forgotten variable.” But this has changed over the last decade. This book includes the most essential first experiments from the 1960's and reviews the progress made in understanding glass formation with the application of pressure in the last ten years. The systems include amorphous polymers and glass-forming liquids, polypeptides and polymer blends. The thermodynamics of these systems, the relation of the structural relaxation to the chemical specificity, and their present and future potential applications are discussed in detail. The book provides (a) an overview of systems exhibiting glassy behavior in relation to their molecular structure and provides readers with the current state of knowledge on the liquid-to-glass transformation, (b) emphasizes the relation between thermodynamic state and dynamic response and (c) shows that the information on the pressure effects on dynamics can be employed in the design of materials for particular applications. It is meant to serve as an advanced introductory book for scientists and graduate students working or planning to work with dynamics. Several scientific papers dealing with the effects of pressure on dynamics have appeared in leading journals in the fields of physics in the last ten years. The book provides researchers and students new to the field with an overview of the knowledge that has been gained in a coherent and comprehensive way.
Author : R. Daudel,J.P. Korb,J.P. Lemaistre,J. Maruani
Publisher : Springer Science & Business Media
Page : 278 pages
File Size : 40,5 Mb
Release : 2012-12-06
Category : Science
ISBN : 9789400953512
This volume is the first of a set of two which contain the invited lectures given at the international seminar of the same title held at the Centre de Mecanique Ondulatoire Appliquee du Centre National de la Recherche Scientifique in Paris (France) from October 1983 to May 1985. They are intended to provide a survey of topics of current interest relative to the structure and the dynamics of molecular systems. The papers have been selected on the basis of their relevance to the following four topics: i) molecular conformations and transformations; ii) molecular relaxation and motion; iii) charge, spin and momentum distributions in molecular solids; iv) collective phenomena in condensed matter. The first volume deals f)1ostly with the first two topics, the second volume mostly with the last two. Each volume consists of about fifteen self contained, reference contributions covering recent achievements in active branches of molecular physics and physical chemistry. The first four papers of the present volume deal with theoretical aspects of structure and reactivity problems, with particular attention being paid to topology considerations, which have joined symmetry con siderations as an important tool in approaching chemistry problems. The treatment of nuclear probability density distributions is performed on a model basis for a simple system, even though it has come to the attention of theoreticians through experimental results for complex systems.