Research Catalog

A practical introduction to the simulation of molecular systems

Title
  1. A practical introduction to the simulation of molecular systems / Martin J. Field.
Published by
  1. Cambridge ; New York : Cambridge University Press, 1999.
Author
  1. Field, Martin (Martin J.)

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FormatTextAccessUse in libraryCall numberQD480 .F5 1999Item locationOff-site

Details

Description
  1. x, 325 pages : illustrations; 26 cm
Subject
  1. Molecules > Models > Computer simulation
  2. MOLECULES
  3. MOLECULAR THEORY
  4. MOLECULAR STRUCTURE
  5. COMPUTERIZED SIMULATION
  6. Molécules > Modèles
  7. Modèles chimiques > Simulation par ordinateur
Contents
  1. 1. Preliminaries -- 2. The coordinate file -- 3. Operations on coordinates -- 4. The energy function -- 5. Setting up the molecular mechanics system -- 6. Finding stationary points and reaction paths on potential energy surfaces -- 7. Normal mode analysis -- 8. Molecular dynamics simulations I -- 9. More on non-bonding interactions -- 10. Molecular dynamics simulations II -- 11. Monte Carlo simulations -- 12. Miscellaneous topics -- App. The Dynamo module library.
Owning institution
  1. Princeton University Library
Bibliography (note)
  1. Includes bibliographical references (p. 294-313) and indexes.