Chapter 4. Semiempirical Methods

  1. David C. Young

Published Online: 25 APR 2002

DOI: 10.1002/0471220655.ch4

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) Semiempirical Methods, in Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems, John Wiley & Sons, Inc., New York, USA. doi: 10.1002/0471220655.ch4

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:

  • Hückel;
  • extended Hückel;
  • PPP;
  • CNDO;
  • MINDO;
  • MNDO;
  • INDO;
  • ZINDO;
  • SINDO1;
  • PRDDO;
  • AM1;
  • PM3;
  • PM3/TM;
  • Fenske-Hall;
  • TNDO;
  • SAM1;
  • Gaussian theory;
  • G1;
  • G2;
  • G3;
  • Pariser-Parr-Pople

Summary

Chapter four discusses the fundamental approximations behind many common semiempirical methods. The relative merits of these methods are also discussed.

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