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Titlebook: Computer Modelling of Fluids Polymers and Solids; C. R. A. Catlow,S. C. Parker,M. P. Allen Book 1990 Kluwer Academic Publishers 1990 Poten

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书目名称Computer Modelling of Fluids Polymers and Solids
编辑C. R. A. Catlow,S. C. Parker,M. P. Allen
视频videohttp://file.papertrans.cn/234/233620/233620.mp4
丛书名称Nato Science Series C:
图书封面Titlebook: Computer Modelling of Fluids Polymers and Solids;  C. R. A. Catlow,S. C. Parker,M. P. Allen Book 1990 Kluwer Academic Publishers 1990 Poten
描述Computer Modelling techniques have developed very rapidly during the last decade, and interact with many contemporary scientific disciplines. One of the areas of greatest activity has concerned the modelling of condensed phases, including liquids solids and amorphous systems, where simulations have been used to provide insight into basic physical processes and in more recent years to make reliable predictions of the properties of the systems simulated. Indeed the predictive role of simulations is increasingly recognised both in academic and industrial contexts. Current active areas of application include topics as diverse as the viscosity of liquids, the conformation of proteins, the behaviour of hydrogen in metals, the diffusion of molecules in porous catalysts and the properties of micelles. This book, which is based on a NATO ASI held at the University of Bath, UK, from September 5th-17th, 1988, aims to give a general survey of this field, with detailed discussions both of methodologies and of applications. The earlier chapters of the book are devoted mainly to techniques and the later ones to recent simulation studies of fluids, polymers (including biological molecules) and sol
出版日期Book 1990
关键词Potential; catalyst; computer simulation; diffusion; mechanics; metals; statistical mechanics; structure; th
版次1
doihttps://doi.org/10.1007/978-94-009-2484-0
isbn_softcover978-94-010-7621-0
isbn_ebook978-94-009-2484-0Series ISSN 1389-2185
issn_series 1389-2185
copyrightKluwer Academic Publishers 1990
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Non-Equilibrium Statistical Mechanics and Molecular Dynamics Computations,t Time Correlation Function and the Kawasaki formalisms, can be used to derive fluctuation relations for the derived properties of nonequilibrium steady states, such as the compressibilities and specific heats.
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Hiroaki Miyoshi,Masayoshi Tanishitafunction is controlled by the structural arrangement and motions of chemically labile groups. Thus, the detailed investigation of the motions and structure of a single protein molecule is of importance in understanding the reactive nature of protein chemistry.
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Molecular Simulations of Protein Structure, Dynamics and Thermodynamics,function is controlled by the structural arrangement and motions of chemically labile groups. Thus, the detailed investigation of the motions and structure of a single protein molecule is of importance in understanding the reactive nature of protein chemistry.
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