Molecular Modeling of Polymer Structures and Properties.
Synopsis This book is intended for the polymer research scientist who wants to learn the new techniques of molecular modelling and simulation as they apply to polymers. Providing both an introduction to techniques and discussion of practical examples from recent literature, the book contains information on the approaches, the results obtained, the computations involved and the validity of the results. Applications include: predicting and analyzing structure; calculating mechanical and electrical properties; and studying diffusion and related phenomena in polymeric materials.
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