Chapter 31. Computing NMR Chemical Shifts

  1. David C. Young

Published Online: 25 APR 2002

DOI: 10.1002/0471220655.ch31

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) Computing NMR Chemical Shifts, in Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems, John Wiley & Sons, Inc., New York, USA. doi: 10.1002/0471220655.ch31

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:

  • ab initio;
  • semiempirical;
  • empirical;
  • NMR;
  • nuclear magnetic resonance;
  • chemical shifts;
  • GIAO;
  • IGLO;
  • LORG;
  • IGAIM;
  • TNDO/1;
  • TNDO/2

Summary

Chapter 31 discusses techniques for computing NMR chemical shifts.

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