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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Molecular Dynamics of Chain Molecules,or small molecules and also the ways in which molecular flexibility can directly influence transport properties. The need to ensure the attainment of equilibrium in such systems where there are slowly relaxing degrees of freedom will be emphasised.

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Computer Modelling of Oxide Surfaces and Interfaces,8]. A comprehensive knowledge of the effects of impurity level concentrations on behaviour is therefore of critical importance in the design and implementation of technologically important materials and processes. The advent and improvement of surface sensitive optical techniques such as AES, SEM an

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Simulation of Plastic Crystals,ammonium, sulphate and cyanide. On the microscopic scale the molecular motion is very similar to the one observed in plastic crystals. The essential difference is that the molecular ions are rotating within the monatomic crystal lattice of the second ion species.

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Computer Modelling of Fluids Polymers and Solids978-94-009-2484-0Series ISSN 1389-2185

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Effect Theory of the Technological Economyeen used to resolve theoretical controversies, provide data to test theories, and occasionally to discover new phenomena. The emphasis is on the application of molecular dynamics to an understanding of the microscopic physics underlying the transport properties of simple fluids.