Chapter 19. Reaction Rates

  1. David C. Young

Published Online: 25 APR 2002

DOI: 10.1002/0471220655.ch19

Book Title

Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems

Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems

Additional Information

How to Cite

Young, D. C. (2002) Reaction Rates, in Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems, John Wiley & Sons, Inc., New York, USA. doi: 10.1002/0471220655.ch19

Author Information

  1. Cytoclonal Pharmaceutics Inc.

Publication History

  1. Published Online: 25 APR 2002
  2. Published Print: 21 FEB 2001

ISBN Information

Print ISBN: 9780471333685

Online ISBN: 9780471220657

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CHAPTER TOOLS

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Keywords:

  • Arrhenious equation;
  • relative rates;
  • hard-sphere collision theory;
  • transition state theory;
  • variational transition state theory;
  • trajectory calculations;
  • statistical calculations;
  • electronic-state crossings;
  • MEP;
  • TST;
  • VTST;
  • CVT;
  • ICVT;
  • µVT;
  • SACM;
  • POLYRATE;
  • tunneling

Summary

Chapter nineteen discusses techniques for computing reaction rates. A list of recommendations for choosing a technique is given.

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