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Atomistic Modeling of Physical Properties

  • Book
  • © 1994

Overview

Editors:
  1. Lucien Monnerie
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    You can also search for this editor in PubMed   Google Scholar

  2. U. W. Suter
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Part of the book series: Advances in Polymer Science (POLYMER, volume 116)

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Table of contents (9 chapters)

  1. Front Matter

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  2. Prediction of polymer crystal structures and properties

    • R. H. Boyd
    Pages 1-25

  3. Atomistic dynamics of macromolecular crystals

    • B. G. Sumpter, D. W. Noid, G. L. Liang, B. Wunderlich
    Pages 27-72

  4. Brownian dynamics simulations of local polymer dynamics

    • M. D. Ediger, D. B. Adolf
    Pages 73-109

  5. MD simulation study of glass transition and short time dynamics in polymer liquids

    • Ryong-Joon Roe
    Pages 111-144

  6. Effect of molecular structure on local chain dynamics: Analytical approaches and computational methods

    • I. Bahar, B. Erman, L. Monnerie
    Pages 145-206

  7. Dynamics of small molecules in bulk polymers

    • A. A. Gusev, F. Müller-Plathe, W. F. van Gunsteren, U. W. Suter
    Pages 207-247

  8. Atomistic Monte Carlo simulation and continuum mean field theory of the structure and equation of state properties of alkane and polymer melts

    • L. R. Dodd, D. N. Theodorou
    Pages 249-281

  9. A critical evaluation of novel algorithms for the off-lattice Monte Carlo simulation of condensed polymer phases

    • E. Leontidis, J. J. de Pablo, M. Laso, U. W. Suter
    Pages 283-318

  10. PRISM theory of the structure, thermodynamics, and phase transitions of polymer liquids and alloys

    • K. S. Schweizer, J. G. Curro
    Pages 319-377

  11. Back Matter

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About this book

With contributions by: R.H. Boyd; B.G. Sumpter, D.W. Noid, G.L. Liang, B. Wunderlich; M.D. Ediger, D.B. Adolf; R.-J. Roe; I. Bahar, B. Erman, L. Monnerie; A.A. Gusev, F. Müller-Plathe, W.F. van Gunsteren, U.W. Suter; L.R. Dodd, D.N. Theodorou; E. Leontidis, J.J. de Pablo, M. Laso, U.W. Suter; K.S. Schweizer.

Reviews

"Atomistic Modeling of Physical properties, with its references, will form a valuable addition to the libraries of both the newcomer and the experienced modeler in need of a concise reference to developments in polymer modeling." TRIP - Trends in Polymer Science

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