Chapter 20. Potential Energy Surfaces

  1. David C. Young

Published Online: 25 APR 2002

DOI: 10.1002/0471220655.ch20

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) Potential Energy Surfaces, in Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems, John Wiley & Sons, Inc., New York, USA. doi: 10.1002/0471220655.ch20

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

SEARCH

CHAPTER TOOLS

Get PDF (75K)

Keywords:

  • PES;
  • adiabatic process;
  • diabatic process;
  • saddle point;
  • IRC;
  • DIM;
  • MIM;
  • LEPS

Summary

Chapter 20 discusses issues pertaining to the computation of potential energy surfaces. Fitting potential energy surfaces to analytic equations and semiempirical models is also discussed.

Get PDF (75K)