Visualizing Molecular Phase Space: Nonstatistical Effects in Reaction Dynamics

  1. Kenny B. Lipkowitz and
  2. Donald B. Boyd
  1. Robert Q. Topper

Published Online: 5 JAN 2007

DOI: 10.1002/9780470125878.ch3

Reviews in Computational Chemistry, Volume 10

Reviews in Computational Chemistry, Volume 10

How to Cite

Topper, R. Q. (1996) Visualizing Molecular Phase Space: Nonstatistical Effects in Reaction Dynamics, in Reviews in Computational Chemistry, Volume 10 (eds K. B. Lipkowitz and D. B. Boyd), John Wiley & Sons, Inc., Hoboken, NJ, USA. doi: 10.1002/9780470125878.ch3

Author Information

  1. Department of Chemistry, The Cooper Union for the Advancement of Science and Art, Albert Nerken School of Engineering, 51 Astor Place, New York, New York 10003

Publication History

  1. Published Online: 5 JAN 2007
  2. Published Print: 1 JAN 1996

ISBN Information

Print ISBN: 9780471186489

Online ISBN: 9780470125878

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Keywords:

  • molecular dynamics;
  • dynamic simulation;
  • reaction rates;
  • coupled isomerization dynamics visualization;
  • Arnold diffusion

Summary

This chapter contains sections titled:

  • Molecular Dynamics in Phase Space

  • Reaction Rates from Dynamics Simulations

  • Chemical Kinetics, Chaos, and Molecular Motions

  • Visualizing Uncoupled Isomerization Dynamics in Phase Space

  • Technical Overview of Nonlinear Dynamics

  • Visualizing Coupled Isomerization Dynamics in Phase Space

  • Summary and Conclusions