Research Catalog

A practical introduction to the simulation of molecular systems

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

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How do I pick up this item and when will it be ready?
Book/TextUse in library QD480 .F5 1999Off-site

Details

Description
x, 325 pages : illustrations; 26 cm
Subject
  • Molecules > Models > Computer simulation
  • MOLECULES
  • MOLECULAR THEORY
  • MOLECULAR STRUCTURE
  • COMPUTERIZED SIMULATION
  • Molécules > Modèles
  • Modèles chimiques > Simulation par ordinateur
Bibliography (note)
  • Includes bibliographical references (p. 294-313) and indexes.
Contents
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.
ISBN
  • 052158129X
  • 9780521581295
  • 0100521017998 (canceled/invalid)
LCCN
98037540
OCLC
  • ocm39890329
  • 39890329
  • SCSB-1299114
Owning Institutions
Princeton University Library